SCHEMBL871423

SCHEMBL871423

ClCC(CBr)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
AGXT P21549 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL872358 0.88 TSHR (0.48) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL11221440 0.88 TSHR (0.48) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL6802731 0.83 IDO1 (0.44) IDO1KMT2ACA1CA2CA9
SCHEMBL11448991 0.81 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL6379469 0.81 SLC1A3 (0.42) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL14047282 0.81 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL28576014 0.81 SLC1A3 (0.42) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL14754591 0.79 ALDH1A1 (0.40) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL27876875 0.78 PSMB5 (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL28230358 0.78 PPARG (0.40) TSHRIDO1SLC1A3SLC1A2SLC1A1

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed
EP-0352013-B1 Hydroxymethyl cyclobutyl purines SQUIBB & SONS INC (US) 1996-05-01 EP disclosed
EP-0689460-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1996-01-03 EP disclosed
US-5369098-A Viricides E. R. SQUIBB & SONS, INC. (US) 1994-11-29 US disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed
WO-1994019023-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
EP-0352013-A2 Hydroxymethyl cyclobutyl purines E.R. Squibb & Sons, Inc. (US) 1990-01-24 EP 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 (3 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-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 TSHR 4496/4885IDO1 2568/4885SLC1A3 4113/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A TSHR 1522/4885IDO1 759/4885SLC1A3 3453/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 TSHR 4496/4885IDO1 2568/4885SLC1A3 4113/4885

“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.