SCHEMBL29308404

SCHEMBL29308404

CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2cc(Cl)ccc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.54
AGTR2 P50052 3/20 0.53
CYP3A4 P08684 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADRA2B P18089 2/20 0.53
SLC6A2 P23975 2/20 0.53
AGTR1 P30556 2/20 0.53
PPARG P37231 2/20 0.53
HTR2B P41595 2/20 0.53
PDE3A Q14432 2/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB3 P13945 1/20 0.53
TBXAS1 P24557 1/20 0.53
HTR2C P28335 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
TBXA2R P21731 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL21083997 0.93 NAE1 (0.55) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21083523 0.88 NAE1 (0.52) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL3977106 0.87 AGTR2 (0.62) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL7018017 0.84 PPARG (0.59) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL30206864 0.84 PPARG (0.59) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21168140 0.84 AGTR2 (0.59) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21083933 0.83 AGTR2 (0.58) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL7018921 0.83 AGTR2 (0.58) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL30849999 0.83 AGTR2 (0.58) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL13465074 0.82 AGTR2 (0.59) NAE1AGTR2CYP3A4ADORA3ADRA2B

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-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 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-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 NAE1 1207/4885AGTR2 6/4885CYP3A4 573/4885

“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.