SCHEMBL162860

SCHEMBL162860

CC(C)(C)NC(=O)n1ccnc1[O]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX4 Q99571 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
RIPK1 Q13546 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL162364 0.79 BCHE (0.33) BCHESMN1; SMN2POLBLMNA
SCHEMBL165609 0.75 KMT2A (0.38) BCHESMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL165206 0.75 BCHE (0.38) BCHESMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL160287 0.72 BCHE (0.41) BCHESMN1; SMN2GAAKMT2APOLB
SCHEMBL162479 0.72 LPO (0.43) BCHESMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL159835 0.71 GPR119 (0.38) BCHEPOLB
SCHEMBL163548 0.71 ASAH1 (0.41) SMN1; SMN2GAAHPGDKDM4EALDH1A1
SCHEMBL160349 0.70 ASAH1 (0.46) BCHESMN1; SMN2LMNA
SCHEMBL163375 0.70 MAPT (0.43) SMN1; SMN2RAB9AKDM4EALDH1A1MEN1
SCHEMBL163470 0.70

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 BCHE 37/4885SMN1; SMN2 1/4885GAA 131/4885

“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.