SCHEMBL7763482

SCHEMBL7763482

N=C(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F12 P00748 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
BLM P54132 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37
RECQL P46063 1/20 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
SCHEMBL29441331 0.77 RAB9A (0.49) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL1074961 0.76 ALDH1A1 (0.56) RAB9AGAASMN1; SMN2TSHRCYP2D6
Hydrochloric Acid SCHEMBL29381203 0.74 RAB9A (0.54) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL9533233 0.74 RAB9A (0.46) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL946805 0.74 RAB9A (0.46) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL1892162 0.74 RAB9A (0.54) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL16954 0.72 F2 (0.58) SMN1; SMN2TSHRF2F10F12
Benzoic Acid SCHEMBL16963066 0.72 TSHR (0.58) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL3070522 0.71 SMN1; SMN2 (0.44) RAB9AGAASMN1; SMN2TSHRCYP2D6
SCHEMBL5640920 0.71

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-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 US disclosed
WO-2013039413-A1 MONO-AND POLYNUCLEAR BORON IMINOPYPROLYL COMPLEXES: METHODS OF PREPARATION AND USE AS LUMINESCENT MATERIALS INSTITUTO SUPERIOR TECNICO (PT) 2013-03-21 WO disclosed
EP-1110999-A2 Stabilizing mixtures for organic polymers Great Lakes Chemical (Europe) GmbH (CH) 2001-06-27 EP 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-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 RAB9A 1629/4885GAA 4713/4885SMN1; SMN2 1326/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 RAB9A 1629/4885GAA 4713/4885SMN1; SMN2 1326/4885

“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.