SCHEMBL22013523

SCHEMBL22013523

CCC(=O)c1csc(-c2ccco2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.46
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
CYP19A1 P11511 1/20 0.41
HSD17B10 Q99714 5/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17742730 0.84 CYP19A1 (0.44) ADORA3ALDH1A1RAB9AKDM4ENPC1
SCHEMBL9823323 0.82 RAB9A (0.56) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL4983851 0.82 KDM4E (0.54) ALDH1A1RAB9AKDM4ENPC1CYP19A1
SCHEMBL17773177 0.80 NTMT1 (0.42) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL17742732 0.76 HDAC1 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL17742729 0.75 ALDH1A1 (0.64) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL17374799 0.73 TRPM8 (0.54) ADORA3ALDH1A1RAB9AKDM4ENPC1
SCHEMBL10144382 0.72 CYP19A1 (0.50) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL20646870 0.71 PDE10A (0.55) ALDH1A1RAB9AKDM4ENPC1CYP19A1
SCHEMBL7253210 0.71 CYP19A1 (0.72) ALDH1A1RAB9AKDM4ENPC1HPGD

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-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-05-26 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-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same SREBF1, SREBF2, BPTF ADORA3 4766/4885ALDH1A1 2475/4885RAB9A 2184/4885

“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.