SCHEMBL244929

SCHEMBL244929

N#Cc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.58
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
KMT2A Q03164 1/20 0.50
AOC3 Q16853 1/20 0.50
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
IDO1 P14902 1/20 0.46
DDAH1 O94760 1/20 0.46

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
SCHEMBL31677104 1.00 PSMB8 (0.58) PSMB8ALDH1A1NPC1RAB9ANPSR1
Lithium SCHEMBL15812806 0.98 PSMB8 (0.56) PSMB8ALDH1A1NPC1RAB9ANPSR1
SCHEMBL222527 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL3081165 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL718646 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL2162639 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL6209371 0.75 TRPV1 (0.51) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL14629339 0.75 PSMB8 (0.53) PSMB8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14427087 0.75 PSMB8 (0.49) PSMB8
SCHEMBL28275372 0.73 TNKS2 (0.56) ALDH1A1RAB9AKDM4EPKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534620-A Preparation method of palladium-catalyzed hydrocarbon bond functionalized 2-trifluoromethyl benzimidazole compound 六盘水师范学院 2024-02-09 CN claimed
CN-108218832-A A kind of pyridyl group bridging benzimidazole imine compound and its synthesis 中国科学院大连化学物理研究所 2018-06-29 CN claimed
CN-107459508-A Annelated pyrimidines as the inhibitor of P97 compounds 克里弗生物科学公司 2017-12-12 CN claimed
US-9742034-B2 Cyano-benzimidazole salts for electrochemical cells and method for synthesis thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2017-08-22 US claimed
US-20140178771-A1 CYANO-BENZIMIDAZOLE SALTS FOR ELECTROCHEMICAL CELLS AND METHOD FOR SYNTHESIS THEREOF NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2014-06-26 US claimed
US-20020026059-A1 Benzimidazole derivatives ASSMANN LUTZ (DE) 2002-02-28 US claimed
CN-1187820-A Benzimidazole derivatives BAYER AG (DE) 1998-07-15 CN claimed
EP-0820457-A1 BENZIMIDAZOLE DERIVATIVES BAYER AG (DE) 1998-01-28 EP claimed
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP claimed
US-5571830-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
US-5510364-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US claimed
EP-0545204-A1 2-cyanobenzimidazoles, process for their preparation and their use in agriculture and new precursors BAYER AG (DE) 1993-06-09 EP claimed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 EP claimed
EP-0230844-A1 Fungicides comprising triazole and oligo ether groups, and mixtures thereof RHONE-POULENC AGROCHIMIE (FR) 1987-08-05 EP claimed
US-4622323-A AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1986-11-11 US claimed
CN-85107900-A The preparation of new 2-cyano-benzimidazole derivative and as sterilant and acaricidal purposes 1986-06-10 CN claimed
EP-0087375-B1 CYANO-2-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR UTILISATION AS FUNGICIDES AND ACARICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-09-18 EP claimed
US-4536502-A PESTICIDES, MITICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-08-20 US claimed
US-4490463-A SENSITIZERS EASTMAN KODAK COMPANY (US) 1984-12-25 US claimed
US-4223082-A ELECTROMAGNETIC WAVES EASTMAN KODAK COMPANY (US) 1980-09-16 US 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 (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-20020026059-A1 Benzimidazole derivatives BAK1, XDH, ZFX PSMB8 3533/4885ALDH1A1 1032/4885NPC1 3115/4885

“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.