SCHEMBL1387795

SCHEMBL1387795

CC1=C(c2ccccc2)c2ccccc2C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
PTGS2 P35354 2/20 0.39
ADRA2C P18825 1/20 0.39
HRH1 P35367 1/20 0.39
HTR3A P46098 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 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
SCHEMBL28219445 0.82 ALDH1A1 (0.32) MAPTLMNAALDH1A1HSD17B10MITF
SCHEMBL6921270 0.82 MAPT (0.42) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL232990 0.79 LMNA (0.41) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL27822685 0.79 TP53 (0.43) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL30525098 0.78 MAPK1 (0.39) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL6760184 0.78 MAPK1 (0.39) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL31121635 0.77 ADRA2C (0.34) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL22557736 0.77 ADRA2C (0.34) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1389126 0.75 FGFR1 (0.42) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL27933610 0.75 KDM4E (0.35) MAPTTP53LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US claimed
CN-1145223-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1997-03-19 CN claimed
JP-H08510211-A 1996-10-29 JP claimed
CN-1124923-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1996-06-19 CN claimed
EP-0699069-A4 1996-04-03 EP claimed
EP-0699069-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-06 EP claimed
WO-1994025013-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-10 WO claimed
US-9902699-B2 Synthesis of tetrahydroisoquinolines from 2-methyl-1-phenyl substituted indenes Gregory Rosocha (CA) 2018-02-27 US disclosed
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP disclosed
EP-1033130-B1 INHIBITOR OF UROKINASE PRODUCTION AND OF ANGIOGENESIS AND ITS THERAPEUTIC USE TAIHO PHARMACEUTICAL CO LTD (JP) 2004-04-21 EP disclosed
CN-1129428-C Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-12-03 CN disclosed
US-6448260-B2 3-(2-CARBOXYMETHOXY-4-METHOXYPHENYL)-1-(3,4-METHYLENEDIOXY -PHENYL)-5-(PROP-1-YLOXY)-INDANE-2-CARBOXYLIC ACID AS AN ESPECIALLY PREFERRED COMPOUND; HYPOTENSIVE AGENTS; CARDIOVASCULAR, UROGENITAL AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-09-10 US disclosed
US-6365610-B1 1,4-EPOXY-2,3-BENZODIOXEPINS OR 1,4-EPOXY-3,2-BENZOXAZEPINES TAIHO PHARMACEUTICAL COMPANY LTD. (JP) 2002-04-02 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5716984-A INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
CN-1124923-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1996-06-19 CN disclosed
EP-0699069-A4 1996-04-03 EP disclosed
EP-0699069-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-06 EP disclosed
WO-1994025013-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-10 WO 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-20020002177-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 MAPT 4431/4885TP53 4674/4885LMNA 2153/4885

“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.