SCHEMBL2905065

SCHEMBL2905065

O=C(Cl)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.62
GUSB P08236 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGS2 P35354 1/20 0.54
MAPT P10636 1/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GPR183 P32249 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL2905071 1.00 PYGL (0.62) PYGLGUSBNPC1RAB9ATDP1
SCHEMBL11835199 0.85 BACE1 (0.54) PYGLNPC1RAB9AMAPTALDH1A1
SCHEMBL1124517 0.84 PYGL (0.62) PYGLGUSBNPC1RAB9ATDP1
SCHEMBL1124516 0.84 PYGL (0.62) PYGLGUSBNPC1RAB9ATDP1
SCHEMBL7828903 0.84 PYGL (0.62) PYGLGUSBNPC1RAB9ATDP1
SCHEMBL6821813 0.83 PTPN11 (0.46) PYGLGUSBCYP1A2ALDH1A1
SCHEMBL6821816 0.83 PTPN11 (0.46) PYGLGUSBCYP1A2ALDH1A1
SCHEMBL13858839 0.83 PYGL (0.45) PYGLGUSBNPC1RAB9ATDP1
SCHEMBL13858840 0.83 PYGL (0.45) PYGLGUSBNPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL6821828 0.82 PYGL (0.60) PYGLGUSBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020108481-A1 THIAMINE COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 上海日馨生物科技有限公司 2020-06-04 WO disclosed
EP-2822938-B1 RODENTICIDAL NORBORMIDE ANALOGUES LANDCARE RES NEW ZEALAND LIMITED (NZ) 2019-07-03 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-9198420-B2 Rodenticidal norbormide analogues LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2015-12-01 US disclosed
US-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES ANIMAL CONTROL PRODUCTS LIMITED (NZ) 2015-01-22 US disclosed
EP-2822938-A1 RODENTICIDAL NORBORMIDE ANALOGUES Landcare Research New Zealand Limited (NZ) 2015-01-14 EP disclosed
WO-2013133726-A1 RODENTICIDAL NORBORMIDE ANALOGUES LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2013-09-12 WO disclosed
EP-1982716-B1 NOVEL HISTIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-04-03 EP disclosed
US-8236844-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-20060135545-A1 Benzo[b]pyrano[3,2-h]acridin-7-one cinnamate compounds UNIVERSITY RENE DESCARTES PARIS V (FR) 2006-06-22 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 EP disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 WO disclosed
US-4151303-A Phenoxyalkylcarboxylic acid compounds and serum-lipid and triglyceride depressing therapeutic compositions BOEHRINGER MANNHEIM GMBH (DE) 1979-04-24 US disclosed
US-3975435-A BACTERIOSTATS GIVAUDAN CORPORATION (US) 1976-08-17 US 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-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES CASP7, RANBP1, CASP3 PYGL 755/4885GUSB 1466/4885NPC1 2013/4885
US-20060135545-A1 Benzo[b]pyrano[3,2-h]acridin-7-one cinnamate compounds CBR3, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PYGL 3986/4885GUSB 2812/4885NPC1 1402/4885

“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.