SCHEMBL160959

SCHEMBL160959

Cn1cc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NSD2 O96028 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
SLC6A2 P23975 1/20 0.39
ACHE P22303 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 2/20 0.38
NOTUM Q6P988 2/20 0.38
NQO2 P16083 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.36
HTR3E A5X5Y0 1/20 0.36

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
Hydrochloric Acid SCHEMBL30557241 0.98 MAPT (0.52) MAPTKDM4EALDH1A1NSD2SMN1; SMN2
SCHEMBL31468795 0.83 KDM4E (0.47) MAPTKDM4EALDH1A1NSD2SMN1; SMN2
SCHEMBL27805790 0.73 MAPT (0.41) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10123647 0.73 SLC6A2 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL15834840 0.73 ALDH1A1 (0.46) MAPTKDM4EALDH1A1NSD2SMN1; SMN2
SCHEMBL31721980 0.72 ADORA3 (0.40) MAPTKDM4EALDH1A1NSD2SMN1; SMN2
SCHEMBL1861283 0.71 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL275534 0.71 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2SLC6A2
SCHEMBL14976437 0.71 MAPT (0.39) MAPTKDM4EALDH1A1SLC6A2ACHE
SCHEMBL11670105 0.71 MAPT (0.39) MAPTKDM4EALDH1A1SLC6A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US claimed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US claimed
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-01 US claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
CN-110092788-A Substituted [1,2,4] triazol [1,5-a] pyrimidin-7-yl compound as PDE2 inhibitor 达特神经科学(开曼)有限公司 2019-08-06 CN claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 EP disclosed
EP-4724441-A1 ISOINDOLINONE AND DIHYDROPYRROLOPRIDINONE COMPOUNDS AND USES THEREOF Revir Therapeutics, Inc. (US) 2026-04-15 EP disclosed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-5670452-A PREEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-09-23 US disclosed
US-5534481-A Indazolesulfonylurea derivative, its use and intermediate for its production KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-07-09 US disclosed
EP-0657450-A1 INDAZOLESULFONYLUREA DERIVATIVE, USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KumaiI Chemical Industry Co., Ltd. (JP) 1995-06-14 EP disclosed
US-4526898-A Hypotensive agents SIEGFRIED AKTIENGESSELSCHAFT (CH) 1985-07-02 US 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 (10 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 MAPT 969/4885KDM4E 307/4885ALDH1A1 1530/4885
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 MAPT 4663/4885KDM4E 4688/4885ALDH1A1 1738/4885
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885KDM4E 2133/4885ALDH1A1 1273/4885
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT MAPT 4307/4885KDM4E 301/4885ALDH1A1 1232/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885KDM4E 2133/4885ALDH1A1 1273/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885KDM4E 2133/4885ALDH1A1 1273/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MAPT 268/4885KDM4E 1325/4885ALDH1A1 994/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 MAPT 3633/4885KDM4E 1621/4885ALDH1A1 1008/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 MAPT 4662/4885KDM4E 4681/4885ALDH1A1 1717/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MAPT 268/4885KDM4E 1325/4885ALDH1A1 994/4885

“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.