SCHEMBL3850573

SCHEMBL3850573

c1ccc2sc(-c3nnn[nH]3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP19A1 P11511 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39
TNIK Q9UKE5 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IKBKB O14920 1/20 0.37
KCNH2 Q12809 2/20 0.36
ERN1 O75460 1/20 0.36
KDM1A O60341 1/20 0.36
CYP2A6 P11509 3/20 0.36

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
SCHEMBL21071477 0.81 APP (0.47) APPCA1CA2CA9IKBKB
SCHEMBL5377583 0.77 MAPKAPK2 (0.50) APP
SCHEMBL29732980 0.73 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL845603 0.73 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL2074138 0.70 ILK (0.48) APP
SCHEMBL4243701 0.70 ADRA2A (0.46) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL16174412 0.70 HSD17B1 (0.44) HSD17B1HSD17B2
SCHEMBL17279725 0.70 NR1H2 (0.57) APPHSD17B1HSD17B2
SCHEMBL2149612 0.69 APP (0.59) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL10534752 0.69 STING1 (0.33)

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-8846019-B2 Use of protoberberines as an active substance regulating the pilosebaceous unit SEDERMA (FR) 2014-09-30 US disclosed
US-20090269395-A1 USE OF PROTOBERBERINES AS AN ACTIVE SUBSTANCE REGULATING THE PILOSEBACEOUS UNIT SEDERMA (FR) 2009-10-29 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-20090269395-A1 USE OF PROTOBERBERINES AS AN ACTIVE SUBSTANCE REGULATING THE PILOSEBACEOUS UNIT BROX, CUTA, SHH APP 1090/4885HSD17B1 974/4885HSD17B2 1178/4885

“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.