SCHEMBL5952857

SCHEMBL5952857

Clc1cc2nc(-c3cc(-c4ccccc4)[nH]n3)[nH]c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.51
RHEB Q15382 3/20 0.50
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FTO Q9C0B1 1/20 0.47
NPC1 O15118 3/20 0.46
ESR1 P03372 1/20 0.44
CBFB Q13951 3/20 0.44
HPGDS O60760 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL17255172 0.89 POLB (0.51) RAB9APOLBRHEBKMT2AKDM4E
SCHEMBL5951760 0.85 MEN1 (0.52) RAB9APOLBKMT2AKDM4EMAPT
SCHEMBL5952983 0.85 METAP1 (0.58) RAB9APOLBKMT2AKDM4EMAPT
SCHEMBL1789360 0.83 RAB9A (0.60) RAB9APOLBKMT2AKDM4EMAPT
SCHEMBL30615082 0.81 RHEB (0.73) RAB9ARHEBKMT2AKDM4EMAPT
SCHEMBL9000174 0.81 RHEB (0.73) RAB9ARHEBKMT2AKDM4EMAPT
SCHEMBL5951473 0.80 RAB9A (0.50) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL17268709 0.80 POLB (0.47) RAB9APOLBRHEBKMT2AKDM4E
SCHEMBL17268732 0.80 GUSB (0.47) RAB9APOLBKMT2AKDM4EMAPT
SCHEMBL17255236 0.80 POLB (0.47) RAB9APOLBRHEBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 RAB9A 810/4885POLB 2261/4885RHEB 3773/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RAB9A 955/4885POLB 2841/4885RHEB 4225/4885

“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.