SCHEMBL160993

SCHEMBL160993

CC(C)NC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
BRD4 O60885 1/20 0.45
NQO2 P16083 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NCEH1 Q6PIU2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ALOX5 P09917 1/20 0.42
TRPM4 Q8TD43 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL15204550 0.85 ALDH1A1 (0.54) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL160992 0.84 NCEH1 (0.46) ERN1BRD4MAOAMAOBNPSR1
SCHEMBL22559164 0.83 ERN1 (0.54) ERN1NPSR1MEN1KMT2AALDH1A1
SCHEMBL160412 0.82 PLK1 (0.50) BRD4NQO2KDM4ETRPM4ALDH1A1
SCHEMBL160379 0.81 KMT2A (0.56) NQO2MAOBNPSR1KDM4ESMN1; SMN2
SCHEMBL28344151 0.80 HDAC6 (0.52) NQO2KDM4ESMN1; SMN2TRPM4
SCHEMBL26886781 0.79 XDH (0.47) ERN1NPSR1KDM4EALOX5ALDH1A1
SCHEMBL5668127 0.79 MAPT (0.56) NQO2KDM4EMEN1KMT2ATRPM4
SCHEMBL161776 0.79 LMNA (0.56) NQO2NPSR1KDM4EMEN1KMT2A
SCHEMBL161258 0.78 CA12 (0.57) NQO2KDM4ESMN1; SMN2MEN1KMT2A

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 ERN1 1210/4885BRD4 3122/4885NQO2 2974/4885

“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.