SCHEMBL162630

SCHEMBL162630

CC(C)NC(=O)c1cncc([O])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CHRM2 P08172 1/20 0.42
GRM5 P41594 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
XDH P47989 5/20 0.40
MAPT P10636 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
CTSA P10619 1/20 0.36
MLLT1 Q03111 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
SCHEMBL162922 0.83 KMT2A (0.43) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL164543 0.79 CNR1 (0.42) CNR1GRM5MAPTNPC1RAB9A
SCHEMBL24609418 0.78 CNR1 (0.47) CNR1CHRM2GRM5SIGMAR1XDH
SCHEMBL163201 0.78 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL162103 0.76 MRGPRX4 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL165921 0.75 CA12 (0.42) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL166011 0.75 CNR1 (0.47) CNR1SMN1; SMN2HPGDS
SCHEMBL158634 0.75 ALDH1A1 (0.36) CNR1GRM5SMN1; SMN2ALDH1A1HPGD
SCHEMBL29420556 0.73 SMN1; SMN2 (0.56) CHRM2GRM5SIGMAR1NPC1RAB9A
SCHEMBL9911459 0.73 SMN1; SMN2 (0.56) CHRM2GRM5SIGMAR1NPC1RAB9A

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 3934/4885CHRM2 2967/4885GRM5 1925/4885

“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.