SCHEMBL2597771

SCHEMBL2597771

CN(C)C(=O)c1cc(C(C(=O)O)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
HKDC1 Q2TB90 1/20 0.41
DTYMK P23919 1/20 0.40
SLC6A4 P31645 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
HCAR3 P49019 1/20 0.38
TSHR P16473 1/20 0.38
CASP6 P55212 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL2597772 1.00 KMT2A (0.46) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2598053 0.87 KMT2A (0.45) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2598054 0.87 KMT2A (0.45) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL12185923 0.85 ALDH1A1 (0.48) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597715 0.83 KMT2A (0.41) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL3722341 0.78 ALDH1A1 (0.41) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL3729240 0.77 TSHR (0.55) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597758 0.77 TSHR (0.58) KMT2AMEN1HPGDL3MBTL1SMN1; SMN2
SCHEMBL1857955 0.77 ALDH1A1 (0.53) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597759 0.77 TSHR (0.58) KMT2AMEN1HPGDL3MBTL1SMN1; SMN2

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 3 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
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 2718/4885MEN1 4527/4885HPGD 959/4885

“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.