SCHEMBL163732

SCHEMBL163732

CC(C)NC(=O)c1nccc([O])n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
CNR1 P21554 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CHRM2 P08172 1/20 0.38
GRM5 P41594 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RECQL P46063 1/20 0.38
RIPK1 Q13546 1/20 0.38
HPGDS O60760 1/20 0.38
MLYCD O95822 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
AURKA O14965 1/20 0.35
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
SCHEMBL160275 0.84 MEN1 (0.45) NPC1RAB9AANO1KDM4ESMN1; SMN2
SCHEMBL24571832 0.83 CNR1 (0.42) FDPSCNR1TSHRALOX15CASP1
SCHEMBL162373 0.80 PLK1 (0.39) CNR1TSHRRIPK1KDM4ESMN1; SMN2
SCHEMBL160244 0.79 KMT2A (0.45) MLYCDNPC1RAB9AKDM4ECYP1A2
SCHEMBL24571823 0.78 NPSR1 (0.46) FDPSMLYCD
SCHEMBL9911465 0.77 P2RX7 (0.54) FDPSTSHRALOX15CASP1CHRM2
SCHEMBL165741 0.77 KDM4E (0.41) TSHRALOX15KDM4EKDM4C
SCHEMBL163712 0.76 CA12 (0.41) NPC1RAB9AADORA3KDM4E
SCHEMBL162918 0.76 CNR1 (0.39) CNR1RIPK1HPGDSNPC1KDM4E
SCHEMBL161652 0.76 SMN1; SMN2 (0.39) CASP1RIPK1HPGDSNPC1RAB9A

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 FDPS 3784/4885CNR1 3934/4885TSHR 4862/4885

“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.