SCHEMBL165613

SCHEMBL165613

CNC(=O)n1cccc1[O]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
SCN4A P35499 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
LMNA P02545 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL162982 0.79 BCHE (0.46) BCHEGAAALDH1A1SMN1; SMN2POLB
SCHEMBL162020 0.79 BCHE (0.46) BCHEGAASMN1; SMN2LMNA
SCHEMBL162353 0.79 BCHE (0.46) BCHEGAAALDH1A1SMN1; SMN2POLB
SCHEMBL4905375 0.76 POLB (0.40) BCHEACHEGAASMN1; SMN2POLB
SCHEMBL161740 0.76 BCHE (0.49) BCHE
SCHEMBL162288 0.75 LPO (0.44) BCHEALDH1A1POLB
SCHEMBL163515 0.74 ASAH1 (0.48) GAAALDH1A1RECQLSMN1; SMN2POLB
SCHEMBL15204741 0.73 MAPT (0.51) ALDH1A1SMN1; SMN2POLB
SCHEMBL163799 0.73 BCHE (0.51) BCHESMN1; SMN2POLB
SCHEMBL161488 0.73

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 37/4885ACHE 21/4885GAA 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.