SCHEMBL6972594

SCHEMBL6972594

N#Cc1ccc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 2/20 0.40
NQO2 P16083 1/20 0.40
NR3C1 P04150 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL34470883 0.81 PGR (0.44) PGRHSD17B1HSD17B2ARNR3C1
SCHEMBL13074418 0.81 PGR (0.43) PGRARNR3C1MAPK1
SCHEMBL7733123 0.81 PGR (0.43) PGRARNR3C1HDAC1HDAC6
SCHEMBL6663634 0.79 APP (0.61) PGRHSD17B1HSD17B2ARNR3C1
SCHEMBL30569539 0.79 AR (0.49) PGRHSD17B1HSD17B2ARNR3C1
SCHEMBL1819268 0.79 PGR (0.48) PGRCYP2A6HSD17B1HSD17B2AR
SCHEMBL19745884 0.79 CYP2A6 (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL498595 0.79 PGR (0.42) PGRARNR3C1MAPK1
SCHEMBL16805388 0.78 HSD17B1 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL27914461 0.78 RAB9A (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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
EP-3036782-B1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2019-10-09 EP disclosed
US-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-07-21 US disclosed
WO-2015024851-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2015-02-26 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 (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-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS SLC18A2, EPCAM, SLC18A1 PGR 1313/4885CYP2E1 422/4885CYP3A4 272/4885

“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.