SCHEMBL163202

SCHEMBL163202

CC(C)(C)NC(=O)c1cc([O])co1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL163909 0.79 KDM4E (0.36) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL163823 0.74 MAPK1 (0.37) KMT2APOLBALDH1A1LMNAGAA
SCHEMBL162015 0.71 MAPT (0.43) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL162071 0.70 CYP2C9 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL161806 0.70 HTT (0.49) KMT2AMEN1MAOBALDH1A1LMNA
SCHEMBL12867819 0.69 MAOA (0.44) KMT2AMEN1POLBAPEX1MAOA
SCHEMBL581489 0.68 MEN1 (0.68) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL570284 0.66 MEN1 (0.49) KMT2AMEN1POLBAPEX1ALDH1A1
SCHEMBL162568 0.66 ALDH1A1 (0.36) KMT2AMEN1POLBAPEX1MAOA
SCHEMBL159589 0.66 ALDH1A1 (0.40) MAOAMAOBALDH1A1LMNA

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 KMT2A 2544/4885MEN1 4776/4885POLB 690/4885

“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.