SCHEMBL1508550

SCHEMBL1508550

c1ccc2c(c1)CCn1c-2cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2C P28335 5/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPR84 Q9NQS5 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30076646 1.00 HTR2A (0.45) HTR2AHTR2CKDM4EMAPTNPC1
SCHEMBL2421457 0.82 KDM4E (0.49) HTR2AHTR2CKDM4EMAPTNPC1
SCHEMBL7292520 0.78 MAPT (0.46) HTR2AKDM4EMAPTNPC1PKM
SCHEMBL11511852 0.76 KDM4E (0.43) HTR2AKDM4EMAPTNPC1PKM
SCHEMBL9259549 0.75 HTR2A (0.44) HTR2AHTR2CKMT2ASIGMAR1HTR1A
SCHEMBL9658744 0.75 KDM4E (0.48) HTR2AHTR2CKDM4EMAPTKMT2A
SCHEMBL9658748 0.75 KDM4E (0.48) HTR2AHTR2CKDM4EMAPTKMT2A
SCHEMBL19609005 0.72 PIK3CA (0.39) HTR2AHTR2CKDM4EMAPTKMT2A
SCHEMBL3574670 0.71 SRD5A2 (0.50) ALDH1A1
SCHEMBL16453898 0.71 GPR84 (0.41) KDM4EMAPTNPC1PKMRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US claimed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US claimed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP claimed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US claimed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO claimed
WO-2009105123-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-27 WO claimed
WO-2008103916-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2008-08-28 WO claimed
US-20050244413-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents ADOLF GUENTHER 2005-11-03 US claimed
EP-1531869-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING MAYTANSINOID CD44 ANTIBODY IMMUNOCONJUGATES AND CHEMOTHERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-05-25 EP claimed
US-20040192621-A1 Anti-tumor agent AJINOMOTO CO., INC (JP) 2004-09-30 US claimed
US-20040126379-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-01 US claimed
EP-1407784-A1 ANTITUMOR AGENTS Ajinomoto Co., Inc. (JP) 2004-04-14 EP claimed
WO-2004018000-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING MAYTANSINOID CD44 ANTIBODY IMMONOCONJUGATES AND CHEMOTHERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-04 WO claimed
EP-1391213-A1 Compositions and methods for treating cancer using maytansinoid CD44 antibody immunoconjugates and chemotherapeutic agents Boehringer Ingelheim International GmbH (DE) 2004-02-25 EP claimed
US-20030109500-A1 Compositions and methods for use in targeting vascular destruction MATEON THERAPEUTICS, INC. 2003-06-12 US claimed
US-6538038-B1 A method of treating a warm-blooded animal having a vascular proliferative disorder, comprising administering, to the animal, an amount of a prodrug of a tubulin binding agent, other than combretastatin A4 disodium phosphate to achieve OXIGENE, INC. 2003-03-25 US claimed
US-12180228-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-12-31 US disclosed
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-06 US disclosed
WO-2002000215-A1 SUBTYPE SELECTIVE MELATONERGICS COGNETIX, INC. (US) 2002-01-03 WO disclosed
WO-2002000215-A1 SUBTYPE SELECTIVE MELATONERGICS COGNETIX, INC. (US) 2002-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS HTR2A 307/4885HTR2C 477/4885KDM4E 2404/4885
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 HTR2A 4386/4885HTR2C 4379/4885KDM4E 4394/4885
US-20030109500-A1 Compositions and methods for use in targeting vascular destruction ALPP, MVD, TYMP HTR2A 4376/4885HTR2C 4505/4885KDM4E 2646/4885
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER BDNF, NGF, NTRK2 HTR2A 2170/4885HTR2C 1920/4885KDM4E 4722/4885
US-20050244413-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents CD44, EPCAM, FUT4 HTR2A 3462/4885HTR2C 3925/4885KDM4E 3363/4885
US-20040126379-A1 Compositions and methods for treating cancer using cytotoxic CD44 antibody immunoconjugates and chemotherapeutic agents CD44, EPCAM, FUT4 HTR2A 3462/4885HTR2C 3925/4885KDM4E 3363/4885
US-20040192621-A1 Anti-tumor agent TUBB1, TUBB3, TUBB HTR2A 4458/4885HTR2C 4816/4885KDM4E 4672/4885
US-12180228-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS HTR2A 307/4885HTR2C 477/4885KDM4E 2404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.