SCHEMBL4963547

SCHEMBL4963547

NC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1N

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 7/20 0.67
MAPT P10636 8/20 0.49
ALDH1A1 P00352 8/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3979943 0.83 PRKCZ (0.61) PRKCZMAPTALDH1A1MAPK1HPGD
SCHEMBL3976440 0.81 PRKCZ (0.59) PRKCZMAPTALDH1A1MAPK1TSHR
SCHEMBL4962826 0.81 PRKCZ (0.61) PRKCZMAPTALDH1A1MAPK1HPGD
SCHEMBL11518208 0.80 PRKCZ (1.00) PRKCZMAPTALDH1A1MAPK1HPGD
SCHEMBL4469939 0.73 PRKCZ (0.50) PRKCZMAPTALDH1A1HPGDHSD17B10
SCHEMBL4477288 0.73 TSHR (0.47) PRKCZMAPTALDH1A1MAPK1TSHR
SCHEMBL15063946 0.73 KDR (0.53) PRKCZMAPTALDH1A1MAPK1TSHR
SCHEMBL14825156 0.72 EPHB4 (0.55) PRKCZMAPTALDH1A1MAPK1HPGD
Urea SCHEMBL28797638 0.71 TSHR (0.65) MAPTALDH1A1MAPK1TSHRGAA
SCHEMBL4492436 0.70 TSHR (0.44) PRKCZMAPTALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436279-B8 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-29 EP disclosed
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US disclosed
EP-1436279-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040192941-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1436279-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003027093-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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 (1 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-20040192941-A1 Chemical compounds TPMT, TST, CYP11B2 PRKCZ 4039/4885MAPT 1014/4885ALDH1A1 165/4885

“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.