SCHEMBL18006331

SCHEMBL18006331

Cc1nc(-c2ccc(Cl)cc2)sc1COc1cccc(-c2nn[nH]c2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 14/20 0.45
PPARD Q03181 11/20 0.45
PTPN1 P18031 1/20 0.42
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 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
SCHEMBL18006416 0.93 PPARD (0.48) CYP2C9PPARGPPARAFFAR1PPARD
SCHEMBL26070911 0.87 CYP2C9 (0.47) CYP2C9PPARGPPARAFFAR1PPARD
SCHEMBL18006400 0.86 SLC22A12 (0.36) FFAR1PPARD
SCHEMBL18005970 0.82 NR4A2 (0.46) PPARGMEN1KMT2A
SCHEMBL18006346 0.81 PPARA (0.47) PPARGPPARALMNA
SCHEMBL18006430 0.80 SLC22A12 (0.39) MEN1TSHRKMT2A
SCHEMBL18006214 0.80 PPARD (0.46) PPARGPPARAFFAR1PPARD
SCHEMBL18004812 0.80 SMPD1 (0.47) MEN1KMT2A
SCHEMBL18006437 0.79 CHEK1 (0.39) TSHR
SCHEMBL18006230 0.79 PPARD (0.51) PPARGPPARAFFAR1PPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CYP2C9 1517/4885PPARG 269/4885PPARA 284/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP2C9 1517/4885PPARG 269/4885PPARA 284/4885

“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.