SCHEMBL4861276

SCHEMBL4861276

CSc1ccc(-c2nc(SC)c(C(=O)O)c(=O)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MDM2 Q00987 1/20 0.37
ESR1 P03372 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
SCHEMBL6141870 0.92 HTT (0.49) ALDH1A1RAB9ANPSR1HTTDHODH
SCHEMBL7250847 0.89 ALDH1A1 (0.46) ALDH1A1RAB9ANPSR1HTTLMNA
SCHEMBL7239184 0.86 PTGS2 (0.44) ALDH1A1
SCHEMBL14223770 0.86 ALDH1A1 (0.43) ALDH1A1RAB9ANPSR1HTTDHODH
SCHEMBL4854630 0.85 MEN1 (0.44) ALDH1A1RAB9ANPSR1HTTLMNA
SCHEMBL5821476 0.84 ALDH1A1 (0.43) ALDH1A1RAB9ANPSR1HTTLMNA
SCHEMBL5821480 0.84 ALDH1A1 (0.41) ALDH1A1RAB9ANPSR1HTTLMNA
SCHEMBL7245244 0.81 MAPK13 (0.40) ALDH1A1NPSR1HTTGAARXFP1
SCHEMBL4861280 0.79 ALDH1A1 (0.40) ALDH1A1RAB9ANPSR1HTTMAPT
SCHEMBL2951048 0.79 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US disclosed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS ALDH1A1 357/4885RAB9A 2782/4885NPSR1 1886/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP ALDH1A1 272/4885RAB9A 2079/4885NPSR1 1479/4885

“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.