SCHEMBL3601937

SCHEMBL3601937

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
PTGER4 P35408 1/20 0.56
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3071975 1.00 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500828 0.91 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500826 0.91 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3126932 0.89 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3126940 0.89 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6172600 0.84 PTGS2 (0.48) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6172610 0.84 PTGS2 (0.48) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4882206 0.83 TSHR (0.52) ALDH1A1RAB9ALMNASTAT3
SCHEMBL13520164 0.83 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3166353 0.83 TSHR (0.52) ALDH1A1RAB9ALMNASTAT3

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 9 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-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 1223/4885MAPT 4262/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 KMT2A 883/4885ALDH1A1 1426/4885MAPT 3786/4885

“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.