SCHEMBL164739

SCHEMBL164739

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TP53 P04637 3/20 0.43
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL160095 0.90 KDM4E (0.55) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL166011 0.86 CNR1 (0.47) KDM4ESCN2ASCN10APOLBSMN1; SMN2
SCHEMBL163201 0.79 RAB9A (0.44) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL164543 0.77 CNR1 (0.42) KDM4ETP53SCN2ASCN10APOLB
SCHEMBL6360168 0.75 KDM4E (0.77) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7109274 0.74 CNR1 (0.50) KDM4ESCN2ASCN10APOLBNPC1
SCHEMBL162922 0.74 KMT2A (0.43) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23015758 0.73 CNR1 (0.44) KDM4ESCN2ASCN10ANPC1RAB9A
SCHEMBL158634 0.72 ALDH1A1 (0.36) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL162630 0.72 CNR1 (0.47) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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 KDM4E 2214/4885TP53 2226/4885SCN2A 2520/4885

“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.