SCHEMBL4892207

SCHEMBL4892207

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.58
ELANE P08246 4/20 0.55
MAPT P10636 4/20 0.54
AR P10275 3/20 0.53
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
F2 P00734 3/20 0.48
PLAU P00749 3/20 0.48
CTRB1 P17538 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL4893680 0.87 AR (0.60) PLA2G2AELANEMAPTARLMNA
SCHEMBL4884093 0.83 AR (0.58) PLA2G2AELANEMAPTARLMNA
SCHEMBL4891631 0.81 AR (0.56) PLA2G2AELANEMAPTARMEN1
SCHEMBL4887461 0.79 AR (0.51) PLA2G2AELANEMAPTARLMNA
SCHEMBL4887465 0.78 AR (0.50) PLA2G2AELANEMAPTARLMNA
SCHEMBL17060318 0.78 NOD2 (0.60) PLA2G2AELANEMAPTARMEN1
SCHEMBL5428229 0.78 AR (0.61) PLA2G2AMAPTARLMNAMEN1
SCHEMBL4948035 0.77 MAPT (0.52) PLA2G2AELANEMAPTF2PLAU
SCHEMBL6851293 0.76 KDM4E (0.53) PLA2G2AMAPTLMNAPKMKDM4E
SCHEMBL3385771 0.75 PLA2G2A (0.69) PLA2G2AMAPTARLMNAPKM

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 11 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-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-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP 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-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 (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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 PLA2G2A 3606/4885ELANE 1593/4885MAPT 2124/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 PLA2G2A 3606/4885ELANE 1593/4885MAPT 2124/4885
US-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 PLA2G2A 3107/4885ELANE 2667/4885MAPT 935/4885
US-20070299126-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 PLA2G2A 3107/4885ELANE 2667/4885MAPT 935/4885

“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.