SCHEMBL118346

SCHEMBL118346

Nc1ccc(-n2cccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 4/20 0.45
HDAC4 P56524 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
TDO2 P48775 1/20 0.43
MPO P05164 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NLRP3 Q96P20 2/20 0.41
CHRM1 P11229 1/20 0.41

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 SCHEMBL2671867 0.98 NOTUM (0.62) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL4341894 0.89 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL5836675 0.84 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL173885 0.80 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL27250 0.79 NOTUM (0.65) NOTUMKDM4EALDH1A1MAPK1MAPT
Sulfanilamide SCHEMBL28755036 0.79 CA2 (0.50) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL182132 0.78 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL8116096 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL14955783 0.78 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL82721 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
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
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 CN disclosed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
US-12098153-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2024-09-24 US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
CN-118063440-A Antitumor application of 6-fluoroquinazoline compound 四川大学华西医院 2024-05-24 CN disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 WO disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 EP disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP 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 (4 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS NOTUM 3385/4885KDM4E 3580/4885ALDH1A1 614/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 NOTUM 4740/4885KDM4E 3580/4885ALDH1A1 1441/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 NOTUM 1684/4885KDM4E 1621/4885ALDH1A1 1008/4885
US-12098153-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation SPOUT1, CLPP, RPN2 NOTUM 1384/4885KDM4E 2749/4885ALDH1A1 2083/4885

“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.