SCHEMBL3632741

SCHEMBL3632741

ClCC1Oc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
PARP1 P09874 2/20 0.40
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MTNR1A P48039 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL5320559 0.76 CA2 (0.47) CA2PARP1HTTSMN1; SMN2MTNR1A
SCHEMBL4973068 0.76 CA2 (0.47) CA2PARP1HTTMTNR1ACYP1B1
SCHEMBL3763119 0.74 CA2 (0.45) CA2PARP1HTTMTNR1APOLB
SCHEMBL4621703 0.74 CA2 (0.45) CA2PARP1HTTMTNR1ACYP1B1
SCHEMBL3639081 0.74 CA2 (0.45) CA2PARP1HTTMTNR1ACYP1B1
SCHEMBL4333283 0.74 CA2 (0.45) CA2PARP1HTTSMN1; SMN2MTNR1A
SCHEMBL9423459 0.74 CA2 (0.45) CA2PARP1HTTMTNR1ACYP1B1
SCHEMBL437597 0.74 CA2 (0.50) CA2PARP1ALOX5ITGB2ICAM1
SCHEMBL11575701 0.73 MAPT (0.36) CA2HTTLMNAMAPTSMN1; SMN2
SCHEMBL17644228 0.73 CA2 (0.40) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887346-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES Anthea Aromatics Private Limited (IN) 2021-10-06 EP disclosed
WO-2020250018-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2020-12-17 WO disclosed
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
EP-2144903-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION Auspex Pharmaceuticals Inc. (US) 2010-01-20 EP disclosed
WO-2008124803-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-7402709-B2 Process for synthesizing heliotropine and its derivatives ENDURA S.P.A. (IT) 2008-07-22 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20070100167-A1 Process for synthesizing heliotropine and its derivatives ENDURA S.P.A. (IT) 2007-05-03 US disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 EP disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 WO disclosed
US-4427666-A 3,5-Dihalogeno-1,2-methylenedioxybenzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0004902-B1 BENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGISTS IN PESTICIDES BAYER AG (DE) 1982-04-21 EP disclosed
EP-0004902-A2 Benzodioxole derivatives, process for their preparation and their use as synergists in pesticides BAYER AG (DE) 1979-10-31 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-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA CA2 1910/4885PARP1 2592/4885HTT 2521/4885
US-20070100167-A1 Process for synthesizing heliotropine and its derivatives ADH1C, ADH1A, HAO2 CA2 156/4885PARP1 1375/4885HTT 3192/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R CA2 1637/4885PARP1 3871/4885HTT 1993/4885

“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.