SCHEMBL25282000

SCHEMBL25282000

Cc1noc2cc(Br)c([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.42
CYP1A2 P05177 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ERN1 O75460 1/20 0.36
TYMS P04818 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 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
SCHEMBL30896402 1.00 BRD4 (0.42) BRD4CYP1A2CHRNB2CHRNA4ERN1
SCHEMBL6589213 0.81 BRD4 (0.44) BRD4CHRNB2CHRNA4ERN1ALDH1A1
SCHEMBL30690121 0.81 TSHR (0.44) BRD4CYP1A2ALDH1A1MAPT
SCHEMBL28912013 0.81 CA12 (0.46) BRD4ALDH1A1MAPT
SCHEMBL30690118 0.79 BRD4 (0.45) BRD4CYP1A2ALDH1A1MAPT
SCHEMBL28551101 0.78 BRD4 (0.44) BRD4CHRNB2CHRNA4ERN1ALDH1A1
SCHEMBL722050 0.74 BRD4 (0.46) BRD4CHRNB2CHRNA4
SCHEMBL30896376 0.74 DYRK1A (0.38) BRD4ERN1ALDH1A1MAPT
SCHEMBL28550968 0.73 BRD4 (0.38) BRD4MAPT
SCHEMBL17307557 0.71 BRD4 (0.41) BRD4CHRNB2CHRNA4ALDH1A1MAPT

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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 BRD4 572/4885CYP1A2 473/4885CHRNB2 1043/4885

“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.