SCHEMBL164543

SCHEMBL164543

CNC(=O)c1cncc([O])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
HPGD P15428 2/20 0.40
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BRD4 O60885 2/20 0.37
GRM5 P41594 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
BUB1 O43683 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL13097165 0.80 GRM5 (0.54) CNR1HPGDCCNCCDK8BAZ2B
SCHEMBL26986930 0.80 CNR1 (0.42) CNR1HPGDCCNCCDK8BAZ2B
SCHEMBL162630 0.79 CNR1 (0.47) CNR1HPGDGRM5RAB9ANPC1
SCHEMBL158634 0.79 ALDH1A1 (0.36) CNR1HPGDGRM5POLBGAA
SCHEMBL166011 0.79 CNR1 (0.47) CNR1POLBBUB1SCN2ASCN10A
SCHEMBL2847725 0.78 GRM5 (0.54) CNR1HPGDBAZ2BBRD4GRM5
SCHEMBL22792229 0.78 CTSA (0.48) CNR1HPGDCCNCCDK8BAZ2B
SCHEMBL13883947 0.78 CNR1 (0.41) CNR1HPGDCCNCCDK8BAZ2B
SCHEMBL164739 0.77 KDM4E (0.47) CNR1HPGDRAB9ANPC1POLB
SCHEMBL162103 0.76 MRGPRX4 (0.43) RAB9ANPC1GAAKDM4EALDH1A1

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 CNR1 3934/4885HPGD 2718/4885CCNC 1542/4885

“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.