SCHEMBL389801

SCHEMBL389801

COc1ccc(-c2cc3cc[nH]c(=O)c3s2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 6/20 0.42
PTGS1 P23219 4/20 0.42
PDPK1 O15530 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
TDP2 O95551 1/20 0.39
MCL1 Q07820 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B2 P37059 1/20 0.38
PDGFRB P09619 1/20 0.37

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
SCHEMBL390192 0.88 KDM4E (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL390356 0.84 PDPK1 (0.42) STK17BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL391808 0.78 PDPK1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL390588 0.78 PDGFRB (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL390245 0.74 HDAC6 (0.46) STK17BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL386804 0.73 RAB9A (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL392533 0.72 PDPK1 (0.38) PDPK1CDK2GSK3BHSD17B2
SCHEMBL5685725 0.69 ESR1 (0.48) STK17BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15953354 0.69 ESR1 (0.48) STK17BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL392148 0.68 ROCK1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R STK17B 1387/4885ALDH1A1 1274/4885NPC1 1164/4885

“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.