SCHEMBL4099074

SCHEMBL4099074

CCOC(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 3/20 0.63
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 3/20 0.58
PAX8 Q06710 1/20 0.58
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSP90AA1 P07900 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL15486296 0.91 NPC1 (0.77) KMT2ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL13711652 0.83 GAA (0.54) KMT2ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL16653611 0.81 SMN1; SMN2 (0.64) KMT2ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL25258059 0.81 GAA (0.53) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL4100817 0.81 GAA (0.53) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL18395032 0.81 KDM4E (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL16653732 0.80 SMN1; SMN2 (0.63) KMT2ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL19030131 0.79 MAPT (0.61) KMT2ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL21430920 0.79 MAPT (0.60) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13215411 0.79 LMNA (0.61) KMT2ANPC1ALDH1A1LMNASMN1; SMN2

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-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 KMT2A 685/4885NPC1 4761/4885ALDH1A1 594/4885
US-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R KMT2A 3375/4885NPC1 3719/4885ALDH1A1 2179/4885

“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.