SCHEMBL3595495

SCHEMBL3595495

O=C(O)C(C(=O)OC(Cc1ccccc1)c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
KIF11 P52732 2/20 0.36
PPARA Q07869 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
TMEM97 Q5BJF2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
GRM4 Q14833 2/20 0.35
ITGA4 P13612 3/20 0.35
ITGB7 P26010 3/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL3595491 0.81 ITGA4 (0.42) KIF11MEN1KMT2AAPOBEC3GHTT
SCHEMBL18543851 0.72 MAPT (0.40) PPARGAKR1C3AKR1C2MEN1KMT2A
SCHEMBL4615415 0.72 NPC1 (0.42) PPARGMEN1KMT2AHTTALDH1A1
SCHEMBL2343250 0.71 ALDH1A1 (0.38) KMT2AHTTALDH1A1
SCHEMBL5335475 0.67 ALOX5 (0.48) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL23409273 0.67 KMT2A (0.50) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL23111942 0.67 KMT2A (0.50) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29602251 0.67 KMT2A (0.50) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL23111943 0.67 KMT2A (0.50) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL1484444 0.66 CPA1 (0.46) PPARGPPARA

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-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-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 PPARG 2335/4885KIF11 4699/4885PPARA 2261/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 PPARG 2419/4885KIF11 4574/4885PPARA 1891/4885

“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.