SCHEMBL162226

SCHEMBL162226

CC(C)NC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPRT1 P00492 2/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
PLK1 P53350 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 1/20 0.39
WDR5 P61964 1/20 0.39

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 0.92 NCEH1 (0.50) NCEH1MAOAMAOBMEN1KMT2A
SCHEMBL15204497 0.86 KMT2A (0.54) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL163046 0.83 PLK1 (0.60) HPRT1ALDH1A1HPGDPLK1KDM4E
SCHEMBL161664 0.82 MAOA (0.48) NCEH1MAOAMAOBALDH1A1PKM
SCHEMBL161942 0.82 KMT2A (0.51) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL164215 0.80 MAPT (0.49) NCEH1MEN1KMT2AHPRT1ALDH1A1
SCHEMBL158637 0.79 KDM4E (0.46) MAOAMAOBMEN1KMT2AHPRT1
SCHEMBL160720 0.79 KMT2A (0.46) MEN1KMT2AHPRT1ALDH1A1LMNA
SCHEMBL164724 0.79 KDM4E (0.45) MEN1KMT2AHPRT1ALDH1A1LMNA
SCHEMBL15204692 0.78 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHPGD

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 1765/4885MAOA 1531/4885MAOB 1218/4885

“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.