SCHEMBL163380

SCHEMBL163380

CNC(=O)c1ccnc([O])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
HPGD P15428 2/20 0.42
CNR1 P21554 1/20 0.41
PLK1 P53350 1/20 0.39
OGA O60502 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
KDR P35968 1/20 0.38
IDH1 O75874 1/20 0.38
GAA P10253 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
KDM4E B2RXH2 3/20 0.37
KDM5A P29375 1/20 0.37
JMJD1C Q15652 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
PTPN11 Q06124 1/20 0.36
SCN1A P35498 1/20 0.36
KCNH2 Q12809 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
SCHEMBL10274546 0.81 CNR1 (0.45) BRD4HPGDCNR1PLK1RAB9A
SCHEMBL31224388 0.81 CNR1 (0.45) BRD4HPGDCNR1PLK1RAB9A
SCHEMBL18938320 0.81 BRD4 (0.42) BRD4HPGDCNR1PLK1RAB9A
SCHEMBL158412 0.80 CNR1 (0.46) HPGDCNR1RAB9ANPC1IDH1
SCHEMBL159497 0.80 CNR1 (0.46) BRD4HPGDCNR1RAB9ANPC1
SCHEMBL160293 0.80 ANO1 (0.42)
SCHEMBL1427770 0.79 RAB9A (0.43) BRD4HPGDCNR1PLK1RAB9A
SCHEMBL16572967 0.79 PTPN11 (0.45) BRD4HPGDCNR1PLK1SCN10A
SCHEMBL26555468 0.78 HPGD (0.41) BRD4HPGDCNR1PLK1RAB9A
SCHEMBL3590598 0.78 ALDH1A1 (0.47) RAB9ANPC1POLBGAAKDM4E

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
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 BRD4 3122/4885HPGD 2718/4885CNR1 3934/4885

“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.