SCHEMBL1128768

SCHEMBL1128768

ClC(Cl)(Br)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
CYP1A2 P05177 2/20 0.48
KCNN4 O15554 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN1 P18031 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
Biphenyl SCHEMBL28828219 0.91 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL7619119 0.82 TSHR (0.37) TSHRMAPK1
SCHEMBL4448673 0.80 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL21831068 0.80 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Fluoride SCHEMBL28084339 0.80 TSHR (0.93) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL5199180 0.78 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL345828 0.78 KCNN4 (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL10940043 0.76 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL151981 0.76 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL461 0.76 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784972-A Ethylene diamine derivative and preparation method and application thereof 江苏普莱医药生物技术有限公司 2023-03-14 CN claimed
EP-1773934-A2 NOVEL FIRE RETARDANTS Bromine Compounds Ltd. (IL) 2007-04-18 EP claimed
WO-2006006154-A2 NOVEL FIRE RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2006-01-19 WO claimed
CN-114181207-B Beta-carboline compounds, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2022-12-13 CN disclosed
CN-114975904-A Polyoxometalate-based viologen polymer derived carbide composite material and preparation method and application thereof 上海应用技术大学 2022-08-30 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
CN-103709094-B 4-phenoxy benzamide compounds and its preparation method and application XIAMEN UNIVERSITY (CN) 2016-04-06 CN disclosed
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
CN-103709094-A 4-phenoxy benzamide compound as well as preparation method and application thereof UNIV XIAMEN 2014-04-09 CN disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
WO-1998054207-A1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-03 WO disclosed
US-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 US disclosed
US-4876376-A Process for the halogenation, nitration and fluorination of aromatic derivatives RHONE-POULENC SPECIALISTES CHIMIQUES (FR) 1989-10-24 US disclosed
EP-0130876-B1 PROCESS FOR THE SIMULTANEOUS HALOGENATION AND FLUORINATION OF AROMATIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1988-04-20 EP disclosed
EP-0130875-B1 PROCESS FOR THE HALOGENATION-NITRATION FLUORINATION OF AROMATIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1987-07-22 EP disclosed
EP-0220810-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-06 EP disclosed
US-4575571-A HALOGEN IN LIQUID HYDROGEN FLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-03-11 US disclosed
EP-0130876-A1 Process for the simultaneous halogenation and fluorination of aromatic compounds RHONE-POULENC CHIMIE (FR) 1985-01-09 EP disclosed
EP-0130875-A1 Process for the halogenation-nitration fluorination of aromatic compounds RHONE-POULENC CHIMIE (FR) 1985-01-09 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 (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-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 TSHR 1235/4885CYP1A2 65/4885KCNN4 3768/4885

“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.