SCHEMBL162165

SCHEMBL162165

CCNC(=O)c1cc([O])cnn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
BRD4 O60885 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGDS O60760 1/20 0.34
LMNA P02545 1/20 0.33
CDK8 P49336 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL163643 0.87 POLB (0.43) BRD4GAAHPGDRAB9ALMNA
SCHEMBL160190 0.84 KDM4E (0.47) HPGDRAB9ALMNASMN1; SMN2KMT2A
SCHEMBL163840 0.82 RAB9A (0.47) GAAHPGDRAB9ALMNASMN1; SMN2
SCHEMBL164703 0.80 BAZ2B (0.41) CNR1BRD4GAAHPGDRAB9A
SCHEMBL25692404 0.79 BRD4 (0.40) CNR1BRD4GAAHPGDRAB9A
SCHEMBL162790 0.76 NPC1 (0.39) CNR1HPGDRAB9AHPGDSSMN1; SMN2
SCHEMBL165757 0.76 CNR2 (0.37) CNR1GAAHPGDRAB9AHPGDS
SCHEMBL160894 0.73 MAPK1 (0.42) HPGDCYP2C19LMNAL3MBTL1KDM4E
SCHEMBL162424 0.72 PARP1 (0.45) CNR1BRD4RAB9ALMNAPOLB
SCHEMBL22290176 0.70 P2RX7 (0.66) CNR1GAALMNAKMT2AL3MBTL1

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 3934/4885BRD4 3122/4885GAA 131/4885

“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.