SCHEMBL1353032

SCHEMBL1353032

COC(=O)c1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 4/20 0.54
GAA P10253 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
RAB9A P51151 2/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
DHODH Q02127 1/20 0.49

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
SCHEMBL10246421 0.90 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL19893787 0.87 KMT2A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4858718 0.85 KMT2A (0.67) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL1353348 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10246590 0.85 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6591721 0.84 P2RX1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5533137 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL16160854 0.82 LMNA (0.59) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6593113 0.82 MAPT (0.58) KMT2AALDH1A1MAPTPOLBHDAC8
SCHEMBL4958960 0.81 ALDH1A1 (0.77) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
EP-1698618-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-18 EP disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
EP-1698618-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-09-06 EP 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 (2 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-20070123493-A1 Benzamide derivative BDKRB1, BDKRB2, NR1H2 MEN1 3744/4885KMT2A 1474/4885ALDH1A1 917/4885
US-20100179326-A1 BENZAMIDE DERIVATIVE NR0B2, NR1H2, CNR2 MEN1 3989/4885KMT2A 1104/4885ALDH1A1 1063/4885

“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.