SCHEMBL5133459

SCHEMBL5133459

O=C1c2ccccc2C(=O)N1c1nccc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
AR P10275 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
ALOX5 P09917 2/20 0.42
PTGS2 P35354 2/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 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
SCHEMBL5133259 0.79 CYP3A4 (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL1264765 0.77 POLB (0.54) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL14895927 0.72 PDPK1 (0.40) SCN2AMAPTMEN1KMT2AKDM4E
SCHEMBL9397783 0.70 ALDH1A1 (0.72) SCN2AMAPTMEN1KMT2AKDM4E
SCHEMBL22095684 0.70 HSD17B10 (0.46) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2857970 0.70 ROCK1 (0.50) MEN1KMT2AALDH1A1ACHETDP1
SCHEMBL28030105 0.70 CLK1 (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL14896334 0.69 HTT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL14908385 0.69 GABRP (0.36) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL28257786 0.69 TSHR (0.54) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594505-A4 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7122559-B2 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1594505-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP disclosed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 SCN2A 1587/4885MAPT 4322/4885MEN1 4047/4885

“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.