SCHEMBL4893680

SCHEMBL4893680

CCOC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.60
PLA2G2A P14555 1/20 0.57
ELANE P08246 1/20 0.54
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
F2RL3 Q96RI0 4/20 0.51
RAD52 P43351 1/20 0.51
LMNA P02545 2/20 0.50
F2R P25116 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL4884093 0.96 AR (0.58) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL4891631 0.92 AR (0.56) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL5428229 0.89 AR (0.61) ARPLA2G2AMAPTKMT2AMEN1
SCHEMBL4887461 0.87 AR (0.51) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL4892207 0.87 PLA2G2A (0.58) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL4887465 0.86 AR (0.50) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL4893267 0.85 MAPT (0.69) ARELANEMAPTKMT2AMEN1
SCHEMBL4886339 0.83 PLA2G2A (0.55) PLA2G2AMAPTKMT2AMEN1LMNA
SCHEMBL6858317 0.82 ELANE (0.51) ARPLA2G2AELANEMAPTKMT2A
SCHEMBL4884198 0.81 PLA2G4A (0.54) ARELANEMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US disclosed
US-7332521-B2 Substituted indoles WYETH (US) 2008-02-19 US disclosed
US-20070299126-A1 Substituted pyrrole-indoles WYETH (US) 2007-12-27 US disclosed
US-7265148-B2 Substituted pyrrole-indoles WYETH (US) 2007-09-04 US disclosed
EP-1682530-B1 PYRROLE SUBSTITUTED INDOLES AS INHIBITORS OF PAI-1 WYETH CORP (US) 2007-05-09 EP disclosed
EP-1682530-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 Wyeth (US) 2006-07-26 EP disclosed
EP-1667970-A1 HETEROCYCLIC- OR ARYLOXY, -THIO 0R -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
EP-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050119327-A1 Substituted indoles WYETH (US) 2005-06-02 US disclosed
US-20050113439-A1 Substituted pyrrole-indoles WYETH (US) 2005-05-26 US disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US disclosed
WO-2005030756-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030716-A1 HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 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 (5 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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 AR 877/4885PLA2G2A 3606/4885ELANE 1593/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 AR 877/4885PLA2G2A 3606/4885ELANE 1593/4885
US-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 AR 1791/4885PLA2G2A 3107/4885ELANE 2667/4885
US-20070299126-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 AR 1791/4885PLA2G2A 3107/4885ELANE 2667/4885
US-20050119327-A1 Substituted indoles IDO2, IDO1, TPH2 AR 605/4885PLA2G2A 3041/4885ELANE 3601/4885

“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.