SCHEMBL962957

SCHEMBL962957

Cc1nn(C)c(-c2csc3ccccc23)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
CYP2A6 P11509 1/20 0.42
ERN1 O75460 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 4/20 0.38
TGFBR1 P36897 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 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
SCHEMBL961908 0.83 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4SMN1; SMN2
SCHEMBL961910 0.83 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4SMN1; SMN2
SCHEMBL963049 0.77 ERN1 (0.42) ALDH1A1MAPTERN1CYP1A2HPGD
SCHEMBL964621 0.75 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4HPGD
SCHEMBL27772666 0.74 ALDH1A1 (0.41) ALDH1A1MAPTERN1CYP1A2CYP3A4
SCHEMBL964719 0.74 SIRT2 (0.46) ALDH1A1MAPTCYP2A6CYP1A2CYP3A4
SCHEMBL15635469 0.73 CYP2A6 (0.41) ALDH1A1MAPTCYP2A6ERN1HPGD
SCHEMBL964202 0.72 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP3A4HPGD
SCHEMBL964204 0.72 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP3A4HPGD
SCHEMBL19209467 0.72 ALDH1A1 (0.49) ALDH1A1MAPTERN1CYP1A2HPGD

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ALDH1A1 421/4885MAPT 4343/4885CYP2A6 347/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885MAPT 4720/4885CYP2A6 759/4885

“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.