SCHEMBL13066751

SCHEMBL13066751

Cc1cc(O)nc(SCc2ncccc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 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
SCHEMBL13066759 0.88 MEN1 (0.48) DAOALDH1A1HPGDKDM4EGAA
SCHEMBL13066754 0.86 KMT2A (0.47) DAOALDH1A1HPGDKDM4EGAA
SCHEMBL13066755 0.85 ALDH1A1 (0.44) DAOALDH1A1HPGDKDM4EGAA
SCHEMBL845134 0.83 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL844076 0.82 RAB9A (0.47) DAOALDH1A1HPGDKDM4EGAA
Hydrochloric Acid SCHEMBL844632 0.82 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL844163 0.81 USP2 (0.44) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL843922 0.81 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAHTT
Hydrochloric Acid SCHEMBL845219 0.80 USP2 (0.43) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL13066768 0.80 HTT (0.44) ALDH1A1HPGDKDM4EGAAHTT

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 8 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-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-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
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 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 (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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP DAO 1392/4885ALDH1A1 577/4885HPGD 342/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP DAO 1392/4885ALDH1A1 577/4885HPGD 342/4885

“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.