SCHEMBL161465

SCHEMBL161465

CC(C)NC(=O)c1cc([O])c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ALOX15 P16050 1/20 0.42
CREBBP Q92793 1/20 0.41
ALDH1A1 P00352 3/20 0.38
ALPL P05186 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
MAPK14 Q16539 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.37
ALOX5 P09917 1/20 0.37
BRD4 O60885 1/20 0.37
MLYCD O95822 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
SCHEMBL163140 0.83 MEN1 (0.44) CREBBPALDH1A1GRNSORT1KDM4E
SCHEMBL24740414 0.80 GRN (0.56) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL164296 0.79 CREBBP (0.63) ALOX15CREBBPALDH1A1MAPK14KDM4E
SCHEMBL21180777 0.77 SMN1; SMN2 (0.41) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL163955 0.77 HSD17B10 (0.47) ALDH1A1ALPLKDM4EGAAMLYCD
SCHEMBL20094572 0.76 GAA (0.40) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL20094779 0.75 KMT2A (0.45) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL163704 0.74 BRD4 (0.44) ALOX15CREBBPALDH1A1KDM4EGAA
SCHEMBL163634 0.74 CREBBP (0.41) CREBBPALDH1A1ALPLGRNSORT1
SCHEMBL161604 0.74 KDM4E (0.45) ALDH1A1KDM4E

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.