SCHEMBL7238495

SCHEMBL7238495

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
APLNR P35414 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL6141921 0.90 SMN1; SMN2 (0.42) MEN1KMT2AMAPTPTGS2SMN1; SMN2
SCHEMBL7237302 0.78 RAB9A (0.37) ALDH1A1RAB9ANPSR1HTTMAPT
SCHEMBL4861276 0.74 ALDH1A1 (0.46) ALDH1A1RAB9ANPSR1HTTMAPT
SCHEMBL5322927 0.73 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL4855936 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL2951048 0.71 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL5821476 0.70 ALDH1A1 (0.43) ALDH1A1RAB9ANPSR1HTTMAPT
SCHEMBL5821480 0.70 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL14223770 0.70 ALDH1A1 (0.43) ALDH1A1RAB9ANPSR1HTTMAPT
SCHEMBL4854630 0.69 MEN1 (0.44) ALDH1A1MEN1KMT2ARAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
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 (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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS ALDH1A1 357/4885APLNR 4652/4885MEN1 2235/4885

“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.