SCHEMBL164726

SCHEMBL164726

CC(C)(C)NC(=O)c1nccnc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANO1 Q5XXA6 2/20 0.36
RIPK1 Q13546 2/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DYRK1A Q13627 1/20 0.35
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14503016 0.82 RIPK1 (0.40) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL9284100 0.81 KDM4E (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL9257568 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL164943 0.78 YTHDC1 (0.37) ALDH1A1KDM4EL3MBTL1PRKCI
SCHEMBL7576218 0.75 PLCG1 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL163224 0.73 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1CASP1
SCHEMBL4605525 0.73 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4EGAANPC1
SCHEMBL163050 0.73 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KDM4EGAANPC1
SCHEMBL31426964 0.73 ANO1 (0.40) SMN1; SMN2HPGDANO1RIPK1POLB
SCHEMBL30853475 0.73 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4EGAANPC1

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 ALDH1A1 1667/4885SMN1; SMN2 1/4885HPGD 2718/4885

“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.