SCHEMBL162219

SCHEMBL162219

CC(C)NC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.48
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPRT1 P00492 1/20 0.41
ERN1 O75460 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PHGDH O43175 1/20 0.39
PLK1 P53350 1/20 0.39
RIPK1 Q13546 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL15204763 0.87 ALDH1A1 (0.49) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL163276 0.85 ALDH1A1 (0.51) ALDH1A1BRD4MAPTHPGDKDM4E
SCHEMBL160992 0.85 NCEH1 (0.46) NCEH1ALDH1A1BRD4MAPTHPGD
SCHEMBL163280 0.83 KMT2A (0.51) ALDH1A1BRD4MAPTHPGDKDM4E
SCHEMBL166312 0.81 ALDH1A1 (0.47) NCEH1ALDH1A1MAPTHPGDKDM4E
SCHEMBL164762 0.81 NPC1 (0.49) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL162200 0.81 IMPDH2 (0.46) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL161821 0.81 ALDH1A1 (0.44) ALDH1A1BRD4MAPTHPGDKDM4E
SCHEMBL165080 0.80 BRD4 (0.43) NCEH1ALDH1A1BRD4MAOAMAOB
SCHEMBL163714 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4ERIPK1

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 1765/4885ALDH1A1 1667/4885BRD4 3122/4885

“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.