SCHEMBL162790

SCHEMBL162790

CC(C)NC(=O)c1cc([O])cnn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 2/20 0.38
CHRM2 P08172 1/20 0.38
GRM5 P41594 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.38
MLLT1 Q03111 1/20 0.38
KDM4E B2RXH2 1/20 0.37
XDH P47989 3/20 0.36
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL162734 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL164703 0.80 BAZ2B (0.41) NPC1RAB9AALDH1A1TSHRCNR1
SCHEMBL160894 0.77 MAPK1 (0.42) ALDH1A1HPGDTP53KDM4EMAPT
SCHEMBL162165 0.76 CNR1 (0.39) RAB9ASMN1; SMN2ALDH1A1CNR1HPGD
SCHEMBL165757 0.76 CNR2 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1CNR1
SCHEMBL160044 0.76 CA12 (0.41) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL161556 0.72 KDM4C (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL160190 0.71 KDM4E (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL20905297 0.70 P2RX7 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL15631121 0.70 ALOX5 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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 NPC1 1201/4885RAB9A 3460/4885SMN1; SMN2 1/4885

“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.