SCHEMBL55693

SCHEMBL55693

COC(=O)c1nc2cccc(N)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.44
PIM3 Q86V86 1/20 0.41
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 3/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
ILK Q13418 1/20 0.37
PTPN11 Q06124 1/20 0.37
CHEK1 O14757 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
SCHEMBL4806969 0.83 HSD17B10 (0.37) HSD17B10KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL27567602 0.82 BRD4 (0.38) ALDH1A1HSD17B10CFTRKDM4ESMN1; SMN2
SCHEMBL31568995 0.82 MAPT (0.44) ALDH1A1HSD17B10KDM4ESMN1; SMN2PKM
SCHEMBL24113223 0.82 NR4A2 (0.48) ALDH1A1HSD17B10KDM4ESMN1; SMN2PKM
SCHEMBL3726215 0.81 IKBKB (0.37) ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL6961429 0.81 PIN1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL3075965 0.79 KDM4E (0.39) ALDH1A1HSD17B10KDM4ESMN1; SMN2PKM
SCHEMBL31569227 0.78 KDM4E (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2PKM
SCHEMBL10823966 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9799485 0.78 GRK6 (0.39) ALDH1A1HSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102655749-B Transparent film-forming, liquid antimicrobial composition NIPPON SODA CO 2014-08-27 CN claimed
US-20030149088-A1 HIV treatment UNIVERSITY OF ARIZONA FOUNDATION (US) 2003-08-07 US claimed
WO-2002041891-A2 HIV TREATMENT WITH BENZIMIDAZOLES THE PROCTER & GAMBLE COMPANY (US) 2002-05-30 WO claimed
EP-0967977-A1 KIT FOR INHIBITING THE GROWTH OF CANCERS, COMPRISING A CHEMOTHERAPEUTIC AGENT AND A BENZIMIDAZOLE, AND OPTIONALLY A POTENTIATOR THE PROCTER & GAMBLE COMPANY (US) 2000-01-05 EP claimed
WO-1998032440-A1 KIT FOR INHIBITING THE GROWTH OF CANCERS, COMPRISING A CHEMOTHERAPEUTIC AGENT AND A BENZIMIDAZOLE, AND OPTIONALLY A POTENTIATOR THE PROCTER & GAMBLE COMPANY (US) 1998-07-30 WO claimed
CN-1186433-A Use of benzimidazoles for manufacturing medicament for treatment of leukemia PROCTER & GAMBLE (US) 1998-07-01 CN claimed
EP-0198165-B1 WOOD PRESERVATIVE DESOWAG Materialschutz GmbH (DE) 1989-07-05 EP claimed
EP-0198165-A1 Wood preservative DESOWAG Materialschutz GmbH (DE) 1986-10-22 EP claimed
US-4547366-A Aqueous wood preservative BASF AKTIENGESELLSCHAFT (DE) 1985-10-15 US claimed
EP-0038932-B1 AQUEOUS WOOD PRESERVATIVE Dr. Wolman GmbH (DE) 1983-12-28 EP claimed
JP-61118303-A None JP disclosed
JP-2049217-A None JP disclosed
US-8877681-B2 Use of specific alcohol alkoxylates as an adjuvant for agrotechnical applications BASF SE (DE) 2014-11-04 US disclosed
CN-102655749-B Transparent film-forming, liquid antimicrobial composition NIPPON SODA CO 2014-08-27 CN disclosed
CN-101742915-B Bioactive acid agrichemical compositions and use thereof AGION TECHNOLOGIES INC 2014-06-25 CN disclosed
EP-0090584-A2 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1983-10-05 EP disclosed
EP-0009648-B1 SURFACE-ACTIVE AGENTS BASED ON NATURAL RESINS, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-11 EP disclosed
US-4312631-A DISPERSANTS, EMULSIFIERS, WETTING AGENTS, ANIONIC SURFACTANTS HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 US disclosed
EP-0034421-A2 N-phenyl-N'-cyano-0-phenylisoureas and process for their preparation SMITHKLINE BECKMAN CORPORATION (US) 1981-08-26 EP disclosed
US-3917635-A 2-Carbomethoxy-aminobenzimidazoles HOECHST AG 1975-11-04 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 (1 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-20030149088-A1 HIV treatment BCOR, CYP3A4, NNT ALDH1A1 1790/4885HSD17B10 428/4885CFTR 1123/4885

“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.