SCHEMBL21420153

SCHEMBL21420153

Cc1ccc2c([C@H]3Nc4ccccc4C3(C)C)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
HTR2A P28223 1/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MGAM O43451 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
PCSK9 Q8NBP7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIF11 P52732 2/20 0.35
NR4A2 P43354 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL18418450 1.00 IDO1 (0.47) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL17178924 0.90 IDO1 (0.47) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL17179229 0.86 HTR2C (0.36) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL17179324 0.86 IDO1 (0.46) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL17179255 0.85 GAA (0.49) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL21948675 0.85 GAA (0.49) IDO1HTR2AGAAALDH1A1MAPT
SCHEMBL21948659 0.83 IDO1 (0.39) IDO1GAAALDH1A1MAPTMEN1
SCHEMBL17179437 0.79 HTR1B (0.40) HTR2AMAPTKDM4EMEN1KMT2A
SCHEMBL17179222 0.79 IMPDH2 (0.49) ALDH1A1MAPTKDM4E
SCHEMBL21420139 0.79 CYP2D6 (0.44) IDO1HTR2AGAAALDH1A1MAPT

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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 IDO1 4686/4885HTR2A 4618/4885GAA 3173/4885

“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.