SCHEMBL21948675

SCHEMBL21948675

CC1(C)c2ccccc2N[C@@H]1c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
AR P10275 1/20 0.47
MGAM O43451 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
IDO1 P14902 3/20 0.43
LMNA P02545 1/20 0.43
HTR2C P28335 5/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL17179255 1.00 GAA (0.49) GAAALDH1A1MAPTARMGAM
SCHEMBL21420153 0.85 IDO1 (0.47) GAAALDH1A1MAPTARMGAM
SCHEMBL18418450 0.85 IDO1 (0.47) GAAALDH1A1MAPTARMGAM
SCHEMBL17178924 0.85 IDO1 (0.47) GAAALDH1A1MAPTARMGAM
SCHEMBL17179324 0.84 IDO1 (0.46) GAAALDH1A1MAPTMGAMSI
SCHEMBL21420139 0.84 CYP2D6 (0.44) GAAALDH1A1MAPTIDO1LMNA
SCHEMBL17179285 0.84 IDO1 (0.46) GAAALDH1A1MAPTMGAMSI
SCHEMBL17179213 0.84 DYRK1A (0.38) GAAALDH1A1MAPTARIDO1
SCHEMBL17179226 0.84 HTR1D (0.44) GAAALDH1A1MAPTARMGAM
SCHEMBL17179229 0.84 HTR2C (0.36) GAAALDH1A1MAPTARMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 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-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 GAA 3173/4885ALDH1A1 2387/4885MAPT 3442/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 GAA 3173/4885ALDH1A1 2387/4885MAPT 3442/4885

“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.