SCHEMBL13066752

SCHEMBL13066752

Nc1cc(O)nc(SCc2cc3ccccc3nc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FAAH O00519 1/20 0.35
TLR8 Q9NR97 2/20 0.35
PIK3CG P48736 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL845091 0.85 KMT2A (0.49) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6641172 0.79 RAB9A (0.47) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6637576 0.77 NPC1 (0.48) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13067239 0.77 KMT2A (0.55) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6635771 0.77 CYP3A4 (0.56) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6354578 0.76 MGAM (0.51) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1520770 0.75 RAB9A (0.78) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6638190 0.75 MAPT (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1CYP3A4
SCHEMBL13402263 0.74 SMN1; SMN2 (0.54) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6643920 0.73 RAB9A (0.56) KMT2ARAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KMT2A 3590/4885RAB9A 3092/4885NPC1 2501/4885

“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.