SCHEMBL23657484

SCHEMBL23657484

COc1ccc(C(=O)Nc2cc(C)cc(C)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.74
CHRNB4 P30926 1/20 0.74
CHRNA3 P32297 1/20 0.74
CHRNA4 P43681 1/20 0.74
MAPT P10636 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 3/20 0.68
RECQL P46063 1/20 0.68
NPC1 O15118 9/20 0.61
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
TP53 P04637 7/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
ADORA3 P0DMS8 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55

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
SCHEMBL823173 0.84 KMT2A (0.84) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL3362301 0.82 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL14097068 0.81 LCK (0.66) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL8660822 0.81 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL16675189 0.81 KMT2A (0.73) MAPTMEN1KMT2AKDM4ERECQL
SCHEMBL4710453 0.80 SMN1; SMN2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL13988385 0.78 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL821802 0.77 KMT2A (0.70) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL12549321 0.77 LCK (0.60) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL2632145 0.77 ADORA3 (0.74) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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 (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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA CHRNB2 1904/4885CHRNB4 2440/4885CHRNA3 2039/4885

“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.