SCHEMBL18463776

SCHEMBL18463776

C=C(C)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.43
▸ CNR2 P34972 1/20 0.39
▸ AR P10275 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL18463889 0.79 CYP1A2 (0.53) KMT2AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL18755513 0.78 NR4A2 (0.35) NR4A2CNR2ARHTR3EHTR3B
SCHEMBL18463775 0.78 KDM4E (0.39) ARKMT2AKDM4EMAPTPDE10A
SCHEMBL18463769 0.78 BACE1 (0.48) ALDH1A1NPC1DYRK1ASMN1; SMN2
SCHEMBL22777233 0.76 MGAM (0.58) NR4A2CNR2KMT2AKDM4EMEN1
SCHEMBL29527233 0.76 MGAM (0.58) NR4A2CNR2KMT2AKDM4EMEN1
SCHEMBL31080661 0.75 MGAM (0.57) CNR2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL611196 0.75 MGAM (0.57) CNR2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL28847797 0.74 MRGPRX4 (0.47) CNR2KDM4EALDH1A1MAPTRXFP1
SCHEMBL9757049 0.72 NR4A2 (0.41) NR4A2CNR2ARKMT2AKDM4E

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-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 — — 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-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 NR4A2 1693/4885CNR2 4569/4885AR 29/4885

“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.

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