SCHEMBL10019307

SCHEMBL10019307

COc1ccc(Cn2ccc3ccnc(-c4cccs4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NR1H4 Q96RI1 2/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 8/20 0.39
USP2 O75604 8/20 0.39
CASP1 P29466 8/20 0.39
CASP7 P55210 8/20 0.39
CYP3A4 P08684 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 6/20 0.39
HIF1A Q16665 6/20 0.39
TSHR P16473 5/20 0.39
CYP2C9 P11712 4/20 0.39
MAPK1 P28482 4/20 0.39
MEN1 O00255 4/20 0.39

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
SCHEMBL10019329 0.83 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL10019304 0.82 NPC1 (0.44) NPC1RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL10019309 0.79 CLK4 (0.48) SMN1; SMN2CYP1A2TSHRMAPK1CYP2C19
SCHEMBL10019314 0.79 TUBB4A (0.61) NPC1RAB9ASMN1; SMN2TDP1CYP1A2
SCHEMBL10019301 0.78 MET (0.51) CYP1A2USP2CASP1CASP7CYP3A4
SCHEMBL10019319 0.78 MAPT (0.46) NPC1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL10019308 0.78 ACHE (0.46) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL10019337 0.77 CYP1A2 (0.43) PTGER3L3MBTL1CYP1A2ALDH1A1MEN1
SCHEMBL10019312 0.76 APP (0.42) CYP1A2USP2CASP1CASP7CYP3A4
SCHEMBL650405 0.76 TUBB4A (0.66) PKML3MBTL1CYP1A2USP2CASP1

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-8119683-B2 Aryl substituted sulfonamide compounds and their use as anticancer agents TAIPEI MEDICAL UNIVERSITY (TW) 2012-02-21 US disclosed
US-20110039880-A1 ARYL SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TAIPEI MEDICAL UNIVERSITY (TW) 2011-02-17 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-20110039880-A1 ARYL SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS ARSA, SULT1E1, STS PTGER3 3354/4885NPC1 2235/4885RAB9A 1905/4885

“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.