SCHEMBL7121783

SCHEMBL7121783

O=C1CCc2cc(N=C=S)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PNMT P11086 1/20 0.47
GRM5 P41594 2/20 0.45
HSD17B1 P14061 3/20 0.44
MAOB P27338 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOA P21397 1/20 0.39
PRKCI P41743 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
PGR P06401 1/20 0.38
PBRM1 Q86U86 1/20 0.37
RAD1 O60671 1/20 0.36
P2RY6 Q15077 1/20 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
SCHEMBL7391311 0.75 MAOA (0.53) CASP1CASP7HSD17B10GRM5HSD17B1
SCHEMBL2265788 0.71 PNMT (0.62) HSD17B10PNMTCYP1A2RAD1P2RY6
SCHEMBL9062840 0.70 PBRM1 (0.50) CASP1CASP7HSD17B10PNMTGRM5
SCHEMBL5412264 0.69 CYP1A2 (0.49) HSD17B10PNMTCYP1A2MAOA
SCHEMBL7273904 0.69 CA9 (0.53) PNMTMAOBMAOA
SCHEMBL28655414 0.69 HSD17B1 (0.78) CASP1CASP7HSD17B10GRM5HSD17B1
SCHEMBL15432851 0.68 CYP2C19 (0.49) HSD17B10RAD1P2RY6
SCHEMBL9064366 0.68 MIF (0.42) HSD17B10PNMTCYP1A2RAD1P2RY6
SCHEMBL5538267 0.67 CASP1 (0.61) CASP1CASP7HSD17B10GRM5HSD17B1
SCHEMBL20154 0.67 AHR (0.51) PNMTMAOBCYP1A2CYP11B1CYP11B2

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
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 CASP1 4386/4885CASP7 4450/4885HSD17B10 948/4885

“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.