SCHEMBL3919774

SCHEMBL3919774

FC(F)(F)c1ccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.62
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
DGAT1 O75907 3/20 0.59
KCNH2 Q12809 3/20 0.59
NPBWR1 P48145 3/20 0.58
TNKS O95271 1/20 0.56
WNT3A P56704 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
GAA P10253 1/20 0.55
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL29784963 0.91 HDAC6 (0.71) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL724591 0.91 HDAC6 (0.71) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3926654 0.89 CHEK2 (0.69) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3417342 0.88 KDM4E (0.76) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4184180 0.85 DGAT1 (0.78) CHEK2DGAT1KCNH2NPBWR1
SCHEMBL3335320 0.85 KDM4E (0.71) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3367497 0.84 KDM4E (0.82) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29899924 0.81 KDM4E (0.66) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL22452568 0.81 KDM4E (0.66) CHEK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2248110 0.81 SMN1; SMN2 (0.82) CHEK2NPC1RAB9AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885NPC1 3612/4885RAB9A 3742/4885

“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.