SCHEMBL1124116

SCHEMBL1124116

O=C(O)c1cocc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.79
NPC1 O15118 3/20 0.62
GSTO1 P78417 1/20 0.58
CSNK2A1 P68400 4/20 0.58
CSNK2A2 P19784 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A3 Q8NEV1 1/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RRM1 P23921 1/20 0.53
RRM2B Q7LG56 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AR P10275 1/20 0.52
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGES O14684 1/20 0.49

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
SCHEMBL7239525 0.89 RAB9A (0.86) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7239062 0.89 RAB9A (1.00) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7240198 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7228332 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7231423 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7230092 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7238318 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL7239776 0.83 RAB9A (0.80) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL5099990 0.82 RAB9A (0.76) RAB9ANPC1GSTO1CSNK2A1CSNK2A2
SCHEMBL5094470 0.82 RAB9A (0.76) RAB9ANPC1GSTO1CSNK2A1CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US claimed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 US claimed
CN-1732163-A Aromatic compounds as anti-inflammatory and immunomodulatory and antiproliferative agents 4 SC AG (DE) 2006-02-08 CN claimed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP claimed
EP-1578741-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 EP claimed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US claimed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 WO claimed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO claimed
CN-1732163-B Aromatic compounds as anti-inflammatory and immunomodulatory and antiproliferative agents 4SC AG 2012-07-18 CN disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
EP-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US disclosed
CN-1732163-A Aromatic compounds as anti-inflammatory and immunomodulatory and antiproliferative agents 4 SC AG (DE) 2006-02-08 CN disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 RAB9A 2708/4885NPC1 2985/4885GSTO1 349/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 RAB9A 3964/4885NPC1 2716/4885GSTO1 1600/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA RAB9A 3873/4885NPC1 1509/4885GSTO1 100/4885

“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.