SCHEMBL17342811

SCHEMBL17342811

N=c1ccc2c(-c3ccc(C(=O)NCN)cc3C(=O)O)c3ccc(N)cc3oc-2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.58
USP2 O75604 3/20 0.56
CFTR P13569 1/20 0.56
PAX8 Q06710 1/20 0.56
ATM Q13315 1/20 0.56
GOPC Q9HD26 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
CA9 Q16790 4/20 0.43
P2RY6 Q15077 1/20 0.41
ALB P02768 1/20 0.38
SLC5A2 P31639 1/20 0.38
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
FOLH1 Q04609 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL17342806 0.93 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL17342816 0.92 ABCB1 (0.57) ABCB1USP2CFTRPAX8ATM
SCHEMBL17342808 0.92 ABCB1 (0.57) ABCB1USP2CFTRPAX8ATM
SCHEMBL14627720 0.88 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL29483446 0.88 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL12231793 0.88 ABCB1 (0.51) ABCB1USP2CFTRPAX8ATM
SCHEMBL17346845 0.86 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL12716297 0.85 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL13937602 0.85 ABCB1 (0.51) ABCB1USP2CFTRPAX8ATM
SCHEMBL25717462 0.85 ABCB1 (0.60) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361090-A1 NOVEL LABELED CHEMICALLY REACTIVE AND BIOLOGICALLY ACTIVE COMJUGATES, AND METHODS AND COMPOSITIONS THEREOF SUN YI (US) 2015-12-17 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-20150361090-A1 NOVEL LABELED CHEMICALLY REACTIVE AND BIOLOGICALLY ACTIVE COMJUGATES, AND METHODS AND COMPOSITIONS THEREOF CD44, GUSB, PAICS ABCB1 1539/4885USP2 2100/4885CFTR 3317/4885

“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.