SCHEMBL3591104

SCHEMBL3591104

CCOC(=O)C(C)=Cc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 2/20 0.49
PTGER4 P35408 1/20 0.49
NPC1 O15118 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 4/20 0.48
VCAM1 P19320 1/20 0.48
USP10 Q14694 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL3591100 1.00 KMT2A (0.53) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL30467446 0.83 MAPT (0.58) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL16906143 0.83 MAPT (0.58) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL12992273 0.83 GLO1 (0.52) KMT2AALDH1A1KDM4EMAPTRAB9A
SCHEMBL7875955 0.82 TDP1 (0.46) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL3500828 0.80 KMT2A (0.51) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL3500826 0.80 KMT2A (0.51) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL7882404 0.80 PTGS2 (0.55) ALDH1A1KDM4EMAPTTDP1NPSR1
SCHEMBL11107929 0.79 MAPT (0.59) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL7871508 0.79 MAPT (0.59) KMT2AALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 KMT2A 1040/4885ALDH1A1 1223/4885KDM4E 1484/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 KMT2A 883/4885ALDH1A1 1426/4885KDM4E 2143/4885

“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.