SCHEMBL858956

SCHEMBL858956

Cc1cc(O)nc(SCc2cscn2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 3/20 0.40
RCE1 Q9Y256 1/20 0.40
HTT P42858 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 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
Hydrochloric Acid SCHEMBL859674 0.99 ALDH1A1 (0.47) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL16998618 0.91 ALDH1A1 (0.56) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL859441 0.78 ALDH1A1 (0.60) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL859090 0.77 ALDH1A1 (0.58) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL13066876 0.75 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL844076 0.75 RAB9A (0.47) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL859706 0.75 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL13066875 0.75 ALDH1A1 (0.42) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL859818 0.74 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL859302 0.74 KDM4E (0.44) ALDH1A1ATMSMN1; SMN2NPC1RAB9A

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 15 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-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-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-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 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 ALDH1A1 577/4885ATM 4485/4885SMN1; SMN2 741/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885ATM 4485/4885SMN1; SMN2 741/4885

“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.