SCHEMBL6949569

SCHEMBL6949569

N#CC1=C(c2ccccc2)c2ccccc2C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 2/20 0.45
ALDH1A1 P00352 9/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
ADRA2C P18825 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
HTR3A P46098 1/20 0.36
PDE4D Q08499 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL232990 0.79 LMNA (0.41) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL30525098 0.74 MAPK1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6760184 0.74 MAPK1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1387795 0.74 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL1389126 0.71 FGFR1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6921270 0.71 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL28336653 0.69 CUL4A (0.34) CUL4AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL25171318 0.69 LMNA (0.54) ALDH1A1MAPTMAPK1HSD17B10LMNA
SCHEMBL70993 0.69 LMNA (0.54) ALDH1A1MAPTMAPK1HSD17B10LMNA
Benzene SCHEMBL27791155 0.69 LMNA (0.54) ALDH1A1MAPTMAPK1HSD17B10LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP claimed
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP claimed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US claimed
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP 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
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US disclosed
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 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

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 CUL4A 3427/4885ALDH1A1 3475/4885MAPT 4431/4885

“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.