SCHEMBL4893031

SCHEMBL4893031

CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
ALDH1A1 P00352 5/20 0.69
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.69
XBP1 P17861 1/20 0.69
CYP2C19 P33261 1/20 0.69
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
FASN P49327 1/20 0.54
CSF1R P07333 2/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AR P10275 3/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL18092632 0.87 MAPT (0.76) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL3888738 0.86 AR (0.59) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL11736607 0.85 MAPT (0.51) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL18102164 0.85 MAPT (0.76) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL16733406 0.83 ALDH1A1 (0.71) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL18102160 0.83 MAPT (0.81) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6848791 0.83 ALDH1A1 (0.78) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL3944802 0.83 MAPT (1.00) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4592566 0.82 ALDH1A1 (0.76) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL18092614 0.82 MAPT (0.71) MAPTALDH1A1HPGDCYP1A2XBP1

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-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS 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

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 MAPT 2124/4885ALDH1A1 442/4885HPGD 2695/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 MAPT 2124/4885ALDH1A1 442/4885HPGD 2695/4885
US-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 MAPT 935/4885ALDH1A1 1025/4885HPGD 299/4885
US-20070299126-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 MAPT 935/4885ALDH1A1 1025/4885HPGD 299/4885
US-20050119327-A1 Substituted indoles IDO2, IDO1, TPH2 MAPT 1771/4885ALDH1A1 99/4885HPGD 1018/4885

“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.