SCHEMBL165757

SCHEMBL165757

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
ANO1 Q5XXA6 7/20 0.34
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4170901 0.85 CNR2 (0.37) CNR2CNR1POLBMAPTAPEX1
SCHEMBL164703 0.80 BAZ2B (0.41) CNR1POLBMAPTAPEX1ALDH1A1
SCHEMBL162165 0.76 CNR1 (0.39) CNR1POLBHPGDSALDH1A1KDM4E
SCHEMBL162790 0.76 NPC1 (0.39) CNR1MAPTHPGDSALDH1A1KDM4E
SCHEMBL163643 0.73 POLB (0.43) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL160894 0.73 MAPK1 (0.42) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL163357 0.72 ANO1 (0.51) ANO1
SCHEMBL163840 0.72 RAB9A (0.47) POLBALDH1A1KDM4ENPC1TP53
SCHEMBL4149563 0.70 PTGER1 (0.34) CNR2CNR1ANO1
SCHEMBL28247469 0.70 P2RX7 (0.61) ANO1ALDH1A1SMN1; SMN2LMNAL3MBTL1

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 CNR2 3729/4885CNR1 3934/4885POLB 690/4885

“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.