SCHEMBL163192

SCHEMBL163192

CC(C)(C)NC(=O)c1ccnnc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL161696 0.80 GAA (0.40) SMN1; SMN2HPGDGAACASP1HTT
SCHEMBL163050 0.76 SMN1; SMN2 (0.58) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL165748 0.76 L3MBTL1 (0.41) POLBKMT2AHPGDGAALMNA
SCHEMBL161919 0.76 ALOX5 (0.41) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL163082 0.73 POLB (0.49) POLBKMT2AALDH1A1KDM4EHPGD
SCHEMBL162113 0.73 KDM4E (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL164744 0.72 ATR (0.38) POLBMAPTKMT2AALDH1A1KDM4E
SCHEMBL161825 0.71 KDM5B (0.46) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28247469 0.70 P2RX7 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL164572 0.70 SIRT3 (0.38) MAPTMEN1KMT2AALDH1A1KDM4E

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 POLB 690/4885APEX1 4459/4885SMN1; SMN2 1/4885

“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.