SCHEMBL2597715

SCHEMBL2597715

CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 10/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL12185923 0.90 ALDH1A1 (0.48) KMT2AHPGDNPSR1MEN1MAPT
SCHEMBL7649624 0.84 SIRT6 (0.47) KMT2AHPGDNPSR1MAPTALDH1A1
SCHEMBL2597772 0.83 KMT2A (0.46) KMT2AHPGDNPSR1MEN1MAPT
SCHEMBL2597771 0.83 KMT2A (0.46) KMT2AHPGDNPSR1MEN1MAPT
SCHEMBL3722341 0.82 ALDH1A1 (0.41) KMT2AHPGDNPSR1MEN1MAPT
SCHEMBL3726022 0.81 TSHR (0.49) KMT2AHPGDMEN1MAPTL3MBTL1
SCHEMBL2597725 0.79 ALDH1A1 (0.41) KMT2AHPGDMEN1MAPTHTT
SCHEMBL2298369 0.79 TDP1 (0.45) KMT2AHPGDNPSR1MEN1MAPT
SCHEMBL7342179 0.78 TSHR (0.42) KMT2AHPGDNPSR1MAPTL3MBTL1
SCHEMBL11302461 0.78 ALDH1A1 (0.50) KMT2AMEN1MAPTL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 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-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB KMT2A 2718/4885HPGD 959/4885NPSR1 4115/4885

“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.