SCHEMBL163576

SCHEMBL163576

CC(C)(C)NC(=O)c1cc([O])on1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
ANO1 Q5XXA6 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL17481960 0.81 MAPT (0.61) MAPTALDH1A1TSHRNPC1TP53
SCHEMBL18407332 0.80 ALDH1A1 (0.56) POLBALDH1A1MAPK1TSHRNPC1
SCHEMBL18233019 0.79 MAPT (0.38) MAPTCNR2CNR1POLBAPEX1
SCHEMBL162398 0.79 MAPT (0.43) MAPTALDH1A1TSHRNPC1TP53
SCHEMBL2529954 0.76 RAB9A (0.41) MAPTCNR2CNR1POLBALDH1A1
SCHEMBL9591139 0.75 RAB9A (0.61) MAPTPOLBALDH1A1MAPK1NPC1
SCHEMBL161857 0.74 RAB9A (0.49) POLBALDH1A1NPC1TP53HTT
SCHEMBL163272 0.74 NPC1 (0.55) MAPTPOLBALDH1A1MAPK1TSHR
SCHEMBL163857 0.71 TP53 (0.58) POLBALDH1A1NPC1TP53HTT
SCHEMBL160032 0.71 TP53 (0.51) MAPTPOLBALDH1A1MAPK1TP53

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 MAPT 261/4885CNR2 3729/4885CNR1 3934/4885

“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.