SCHEMBL7230958

SCHEMBL7230958

CC(C)(C)c1onc(N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 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
SCHEMBL22140414 0.76
SCHEMBL20320539 0.74 EDNRB (0.34)
SCHEMBL10514792 0.74 IDO1 (0.36) IDO1
SCHEMBL14480556 0.73 IDO1 (0.37) IDO1
SCHEMBL16245647 0.73
SCHEMBL580730 0.69
SCHEMBL16245733 0.68 LMNA (0.33)
SCHEMBL16935112 0.68 HIF1A (0.34)
SCHEMBL16245815 0.67 RET (0.36)
SCHEMBL14351911 0.66 HIF1A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097101-B1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME (US) 2020-12-23 EP disclosed
US-10065945-B2 Isoquinoline derivatives as MGAT2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-04 US disclosed
US-9936701-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2018-04-10 US disclosed
US-9936701-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2018-04-10 US disclosed
US-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME LLC 2018-01-11 US disclosed
EP-2993986-B1 HERBICIDAL ISOXAZOLYL SUBSTITUTED PYRROLONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-10 EP disclosed
EP-3097101-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
EP-2993986-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-03-16 EP disclosed
US-20160066574-A1 Herbicidal Compounds SYNGENTA LIMITED (GB) 2016-03-10 US disclosed
US-20160066574-A1 Herbicidal Compounds SYNGENTA LIMITED (GB) 2016-03-10 US disclosed
WO-2014180740-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 WO disclosed
US-6541498-B2 Antiinflammatory agents, antiasthmatics TEXAS BIOTECHNOLOGY 2003-04-01 US disclosed
US-6376523-B1 HYPOTENSIVE AGENTS; ANTIINFLAMMATORY AGENTS; ENDOGENOUS VASOCONSTRUCTION PEPTIDE TEXAS BIOTECHNOLOGY CORPORATION 2002-04-23 US disclosed
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-11-01 US disclosed
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed
US-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
US-5514691-A N-(4-halo-isoxazolyl)-sulfonamides and derivatives thereof that modulate the activity of endothelin IMMUNOPHARMACEUTICS, INC. (US) 1996-05-07 US disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 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 (4 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-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MGAT2, MGAT1, ACAT2 IDO1 1428/4885
US-20160066574-A1 Herbicidal Compounds CBR3, DDT, RDX IDO1 1322/4885
US-10065945-B2 Isoquinoline derivatives as MGAT2 inhibitors MGAT2, MGAT1, ACAT2 IDO1 1428/4885
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin EDNRB, EDNRA, ECE1 IDO1 898/4885

“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.