SCHEMBL8524080

SCHEMBL8524080

Clc1cc2c(cc1Br)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.62
CYP3A4 P08684 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IGF1R P08069 1/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90B1 P14625 3/20 0.36
TRAP1 Q12931 3/20 0.36
FLT1 P17948 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 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
SCHEMBL30456979 1.00 AHR (0.62) AHRCYP3A4MEN1KMT2AIGF1R
SCHEMBL3526160 0.86 AHR (0.62) AHRMEN1KMT2AFLT1ALDH1A1
SCHEMBL30787730 0.82 AHR (0.53) AHRCYP3A4MEN1KMT2AFLT1
SCHEMBL1751672 0.82 AHR (0.53) AHRCYP3A4MEN1KMT2AIGF1R
SCHEMBL5302174 0.82 AHR (0.53) AHRCYP3A4MEN1KMT2AFLT1
SCHEMBL3073324 0.76 MEN1 (0.47) AHRCYP3A4MEN1KMT2AIGF1R
SCHEMBL15613033 0.76 CYP3A4 (0.37) AHRCYP3A4MEN1KMT2AIGF1R
SCHEMBL15893452 0.73 GAA (0.52) AHRCYP3A4MEN1KMT2AFLT1
SCHEMBL4133359 0.73 CYP3A4 (0.38) AHRCYP3A4MEN1KMT2AFLT1
SCHEMBL1702010 0.73 AHR (0.47) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
WO-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 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 (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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 AHR 987/4885CYP3A4 520/4885MEN1 3518/4885
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 AHR 415/4885CYP3A4 650/4885MEN1 3698/4885

“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.