SCHEMBL21083705

SCHEMBL21083705

N#Cc1ccc(Br)cc1-c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.42
STS P08842 2/20 0.39
ESR2 Q92731 1/20 0.39
BIRC5 O15392 1/20 0.36
PIM1 P11309 1/20 0.36
XDH P47989 2/20 0.36
PTGES O14684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL21083736 0.87 CYP19A1 (0.46) CYP19A1MAOBMAOASTSESR2
SCHEMBL8569201 0.82 MAOA (0.42) CYP19A1MAOBMAOA
SCHEMBL28445916 0.79 CYP11B1 (0.44) MAOBMAOAESR2BIRC5PIM1
SCHEMBL21643662 0.79 BIRC5 (0.49) CYP19A1MAOBMAOAESR2BIRC5
SCHEMBL8155256 0.78 CYP19A1 (0.55) CYP19A1MAOBMAOASTSESR2
SCHEMBL31772593 0.77 ESR2 (0.59) CYP19A1ESR2PTGES
SCHEMBL357 0.77 ESR2 (0.59) CYP19A1ESR2PTGES
SCHEMBL29175248 0.77 CYP19A1 (0.46) CYP19A1STSESR2XDH
SCHEMBL29663184 0.75 PGR (0.50) MAOBMAOAPIM1CYP11B1CYP11B2
SCHEMBL7685860 0.73 TNF (0.42) CYP19A1CYP11B1CYP11B2

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 9 patents. 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
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 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 (4 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CYP19A1 837/4885MAOB 619/4885MAOA 711/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CYP19A1 837/4885MAOB 619/4885MAOA 711/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CYP19A1 837/4885MAOB 619/4885MAOA 711/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CYP19A1 837/4885MAOB 619/4885MAOA 711/4885

“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.