SCHEMBL1390835

SCHEMBL1390835

Cc1noc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 1.00
EDNRB P24530 11/20 1.00
MEN1 O00255 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
ADRA1A P35348 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL7230639 0.86 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7857330 0.86 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7858648 0.83 EDNRA (0.70) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7856711 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7849834 0.81 EDNRA (0.78) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7857530 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7860467 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
Sulfisoxazole SCHEMBL23467 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
Sulfisoxazole SCHEMBL788644 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7716850 0.81 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES 2006-08-10 US disclosed
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB EDNRA 802/4885EDNRB 1113/4885MEN1 2828/4885
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ACACA, ACACB, ACAT1 EDNRA 1888/4885EDNRB 1821/4885MEN1 3871/4885

“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.