SCHEMBL160992

SCHEMBL160992

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.46
BRD4 O60885 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGDS O60760 1/20 0.41
ERN1 O75460 1/20 0.41
MLYCD O95822 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL165080 0.88 BRD4 (0.43) NCEH1BRD4MAOAMAOBNPSR1
SCHEMBL162219 0.85 NCEH1 (0.48) NCEH1BRD4MAOAMAOBNPSR1
SCHEMBL15204549 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL160993 0.84 ERN1 (0.46) NCEH1BRD4MAOAMAOBNPSR1
SCHEMBL160411 0.82 PLK1 (0.50) NCEH1BRD4ALDH1A1MAPTHPGD
SCHEMBL160378 0.81 KMT2A (0.56) BRD4MAOBNPSR1ALDH1A1MAPT
SCHEMBL161775 0.79 ALDH1A1 (0.50) NPSR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL161257 0.78 CA12 (0.53) ALDH1A1MAPTHPGDCYP1A2KDM4E
SCHEMBL162355 0.78 IMPDH2 (0.47) MAOAMAOBALDH1A1MAPTHPGD
SCHEMBL162794 0.78 BRD4 (0.45) BRD4ALDH1A1MAPTHPGDKDM4E

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 NCEH1 1765/4885BRD4 3122/4885MAOA 1531/4885

“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.