SCHEMBL893060

SCHEMBL893060

O=C(NCO)c1ccon1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 3/20 0.41
THRB P10828 1/20 0.40
AR P10275 3/20 0.38
ACACB O00763 1/20 0.38
ATM Q13315 1/20 0.37
RAPGEF3 O95398 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
PSMB8 P28062 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 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
SCHEMBL656888 0.83 ATM (0.43) CHRNA4ARACACBATMSMN1; SMN2
SCHEMBL3940897 0.83 CHRNA4 (0.40) CHRNA4ARACACBATMRAPGEF3
Hydrochloric Acid SCHEMBL3938535 0.81 CHRNA4 (0.39) CHRNA4ARACACBATMRAPGEF3
SCHEMBL15704535 0.80 MAOB (0.51) CHRNA4ARATMSMN1; SMN2ALDH1A1
SCHEMBL19064377 0.80 RAB9A (0.54) THRBACACBATMSMN1; SMN2ALDH1A1
SCHEMBL157610 0.80
Phosphoric Acid SCHEMBL4435975 0.79 CNR1 (0.41) CHRNA4ARACACBATMSMN1; SMN2
SCHEMBL17883351 0.79 RAB9A (0.55) ACACBPSMB8SMN1; SMN2ALDH1A1GAA
SCHEMBL892942 0.79 ATM (0.40) CHRNA4ARACACBATMPSMB8
SCHEMBL289997 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US 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 (2 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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN CHRNA4 221/4885THRB 2859/4885AR 4063/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN CHRNA4 221/4885THRB 2859/4885AR 4063/4885

“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.