SCHEMBL335334

SCHEMBL335334

O=C(O)c1cnnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE10A Q9Y233 1/20 0.50
DHODH Q02127 3/20 0.47
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
ALOX15 P16050 1/20 0.43
GPR3 P46089 1/20 0.43
ESR1 P03372 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL30798875 1.00 KDM4E (0.50) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL27671863 0.98 KDM4E (0.49) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL2008977 0.83 LCK (0.50) KDM4ELMNASMN1; SMN2PDE10AKMT2A
SCHEMBL25500933 0.83 HCRTR1 (0.42) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL10845993 0.83 LCK (0.50) KDM4ELMNASMN1; SMN2PDE10AKMT2A
SCHEMBL8237140 0.83 HCRTR1 (0.45) KDM4ELMNASMN1; SMN2PDE10APOLB
SCHEMBL2008976 0.83 HCRTR1 (0.45) KDM4ELMNASMN1; SMN2PDE10ADHODH
Potassium Ion SCHEMBL10736971 0.81 HCRTR1 (0.41) KDM4ELMNASMN1; SMN2PDE10ADHODH
Hydrochloric Acid SCHEMBL10842830 0.81 LCK (0.49) KDM4EKMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL10738732 0.80 HDAC8 (0.47) KDM4ELMNASMN1; SMN2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050300-A Polylysine-based polymer adjuvant material, and preparation method and application thereof 中国科学院长春应用化学研究所 2023-11-14 CN claimed
CN-113603886-A Polyethyleneimine derivative and preparation method and application thereof 中国科学院长春应用化学研究所 2021-11-05 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2012-10-25 US claimed
CN-101563328-B substituted heteroaryl Pyridopyrimidinone derivatives SANOFI AVENTIS 2012-03-14 CN claimed
CN-1863795-B P-glycoprotein inhibitor, method for preparing the same and pharmaceutical composition comprising the same HANMI PHARM IND CO LTD 2011-05-18 CN claimed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A KDM4E 2520/4885LMNA 2106/4885SMN1; SMN2 1670/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A KDM4E 2520/4885LMNA 2106/4885SMN1; SMN2 1670/4885
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 KDM4E 2646/4885LMNA 3627/4885SMN1; SMN2 4854/4885
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto HTR5A, HTR2A, HTR1A KDM4E 2520/4885LMNA 2106/4885SMN1; SMN2 1670/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS KDM4E 1544/4885LMNA 4480/4885SMN1; SMN2 3396/4885

“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.