SCHEMBL164014

SCHEMBL164014

CC(C)NC(=O)c1cc([O])[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
ALPL P05186 2/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
MLLT1 Q03111 1/20 0.38
PARP1 P09874 2/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL163054 0.83 KMT2A (0.47) SMN1; SMN2CYP1A2NPC1RAB9AALDH1A1
SCHEMBL18896203 0.82 DAO (0.56) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL21401431 0.81 HCAR3 (0.64) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL164683 0.79 BAZ2B (0.42) CYP1A2ALPLNPC1RAB9AALDH1A1
SCHEMBL160431 0.78 RAB9A (0.48) SMN1; SMN2ALPLNPC1RAB9AALDH1A1
SCHEMBL18711985 0.76 HCAR2 (0.59) SMN1; SMN2NPC1RAB9AHCAR2KDM4E
SCHEMBL163583 0.76 MAPK1 (0.67) SMN1; SMN2CYP1A2ALPLNPC1RAB9A
SCHEMBL166665 0.75 MAPK1 (0.43) ADORA3NPC1RAB9AALDH1A1MAPK1
SCHEMBL162816 0.75 HDAC3 (0.43) ALPLALDH1A1MAPK1HCAR3HCAR2
SCHEMBL160116 0.75 KMT2A (0.42) SMN1; SMN2ALPLNPC1RAB9AALDH1A1

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 ADORA3 705/4885ADORA2A 1248/4885ADORA2B 375/4885

“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.