SCHEMBL161664

SCHEMBL161664

CC(C)NC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 4/20 0.41
NCEH1 Q6PIU2 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
TACR3 P29371 1/20 0.39
LMNA P02545 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
SCHEMBL162180 0.86 NCEH1 (0.50) MAOAMAOBALDH1A1NCEH1PKM
SCHEMBL162824 0.86 KMT2A (0.54) ALDH1A1KDM4EGAAHTTLMNA
SCHEMBL162966 0.83 PLK1 (0.51) ALDH1A1KDM4EGAA
SCHEMBL162226 0.82 NCEH1 (0.47) MAOAMAOBALDH1A1NCEH1PKM
SCHEMBL162648 0.82 KMT2A (0.51) MAOAMAOBALDH1A1KDM4EGAA
SCHEMBL165293 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EGAALMNA
SCHEMBL163283 0.79 MAOA (0.48) MAOAMAOBALDH1A1KDM4EGAA
SCHEMBL163431 0.79 KMT2A (0.46) ALDH1A1KDM4EGAAAURKALCK
SCHEMBL158983 0.79 KDM4E (0.48) ALDH1A1PKMKDM4EGAAHTT
SCHEMBL161852 0.77 ALDH1A1 (0.50) MAOBALDH1A1KDM4EGAAHTT

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 MAOA 1531/4885MAOB 1218/4885ALDH1A1 1667/4885

“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.