SCHEMBL161652

SCHEMBL161652

CC(C)(C)NC(=O)c1nccc([O])n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 1/20 0.38
ANO1 Q5XXA6 9/20 0.37
HPGDS O60760 1/20 0.37
POLB P06746 1/20 0.36
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL162373 0.80 PLK1 (0.39) SMN1; SMN2HPGDGAAKDM4ERIPK1
SCHEMBL6486173 0.77 P2RX7 (0.54) SMN1; SMN2ALDH1A1HPGDGAAKDM4E
SCHEMBL163732 0.76 FDPS (0.41) SMN1; SMN2KDM4ENPC1RAB9ACASP1
SCHEMBL162918 0.76 CNR1 (0.39) HPGDGAAKDM4ENPC1HSD17B10
SCHEMBL162211 0.73 HIF1A (0.42) SMN1; SMN2ALDH1A1HPGDGAAKDM4E
SCHEMBL165741 0.73 KDM4E (0.41) ALDH1A1GAAKDM4EL3MBTL1GLA
SCHEMBL160293 0.72 ANO1 (0.42) ANO1
SCHEMBL165564 0.72 ATR (0.38) ALDH1A1GAANPC1RAB9ATP53
SCHEMBL160244 0.72 KMT2A (0.45) SMN1; SMN2ALDH1A1HPGDGAAKDM4E
SCHEMBL163539 0.71 KMO (0.50)

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