SCHEMBL2590626

SCHEMBL2590626

Clc1cc(Cl)cc(Br)c1.[MgH2]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.37
TPMT P51580 1/20 0.35
NMT1 P30419 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 3/20 0.32
AHR P35869 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ERN1 O75460 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL114694 0.96
SCHEMBL151031 0.89
1,3,5-Trichlorobenzene SCHEMBL865477 0.89 TSHR (0.61) TSHRCYP3A4TP53ALDH1A1TPMT
SCHEMBL11804897 0.80 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL20293122 0.80 TSHR (0.35) TSHR
SCHEMBL29999249 0.78 TSHR (0.40) TSHRCYP3A4TP53ALDH1A1IDO1
SCHEMBL3983596 0.78 TSHR (0.40) TSHRCYP3A4TP53ALDH1A1IDO1
SCHEMBL28894230 0.78 TSHR (0.40) TSHRCYP3A4TP53IDO1HTR3E
SCHEMBL15517049 0.76 TSHR (0.38) TSHRCYP3A4TP53ALDH1A1IDO1
SCHEMBL1363469 0.76 PNMT (0.46) TSHRCYP3A4TP53IDO1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920774-B D-A type triarylphosphine compound and synthetic method and application thereof 哈尔滨工业大学(深圳) 2024-01-02 CN disclosed
CN-114920774-A D-A type triarylphosphine compound and synthetic method and application thereof 哈尔滨工业大学(深圳) 2022-08-19 CN disclosed
EP-2563764-B1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 US disclosed
US-8618173-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
WO-2013110313-A1 SELECTIVE ALLOSTERIC MODULATORS OF THE SEROTONIN TRANSPORTER H. LUNDBECK A/S (DK) 2013-08-01 WO disclosed
EP-2563764-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 US disclosed
WO-2011137024-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents ABBOTT LABORATORIES AND LIGAND PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 EP disclosed
US-6506766-B1 A pharmaceutical composition for use in treating inflammation, immune, autoimmune, and inflammatory diseases in a mammal by selectively modulating the activation, repression, agonism, and antagonism effects of the mammal's glucocorticoid ABBOTT LABORATORIES 2003-01-14 US disclosed
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 EP disclosed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO disclosed
CN-1297451-A Glucocorticoid-selective antiinflammatory agents ABBOTT LAB (US) 2001-05-30 CN disclosed
CN-1063440-C Process for the desulfurization and the desalting of fossil fuels RHONE ROULENC AGROCHIMIE CORP (FR) 2001-03-21 CN disclosed
EP-1053239-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-11-22 EP disclosed
WO-1999041256-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1999-08-19 WO disclosed
CN-1079735-A Arylpyrazole mycocide ENERGY BIOSYSTEMS CORP (FR) 1993-12-22 CN 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-20030073703-A1 Glucocortiocoid-selective antinflammatory agents NR3C1, GPR119, MC2R TSHR 340/4885CYP3A4 4325/4885TP53 4847/4885
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, PEPD TSHR 2375/4885CYP3A4 843/4885TP53 4402/4885
US-20100240712-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, ACHE TSHR 2635/4885CYP3A4 332/4885TP53 3572/4885

“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.