SCHEMBL5116538

SCHEMBL5116538

Fc1[c]cc2c(c1)sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
PNMT P11086 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL21295974 0.79 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL28316922 0.76 GPR3 (0.93) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30077259 0.74 GPR3 (0.78) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30451427 0.74 GPR3 (0.78) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL1637414 0.74 GPR3 (0.78) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL23917090 0.74 GPR3 (0.78) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30800875 0.74 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL3150976 0.74 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL4866851 0.74 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
Dibenzothiophene SCHEMBL13294 0.73 GPR3 (1.00) GPR3ALDH1A1MAPTRAB9AHPGD

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-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 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-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO GPR3 214/4885ALDH1A1 2174/4885MAPT 300/4885

“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.