SCHEMBL4860038

SCHEMBL4860038

CCCCc1ccc(NC(=N)c2ccc(SC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PLK1 P53350 1/20 0.43
GALR3 O60755 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL4854656 0.85 TNF (0.44) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14223431 0.83 TRPV1 (0.50) TRPV1POLBKDM4EF13A1TGM2
SCHEMBL8641530 0.78 CA2 (0.50) KDM4EHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4853065 0.77 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14193769 0.77 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4857030 0.76 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL4864119 0.76 MEN1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4854757 0.76 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL4856115 0.76 MEN1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4852963 0.76 IDO1 (0.44) KDM4EHPGDLMNAALDH1A1PLK1

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-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

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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP TRPV1 1714/4885POLB 705/4885KDM4E 4161/4885

“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.