SCHEMBL2772464

SCHEMBL2772464

CC(=O)OC1CCN(Cc2ccc([N+](=O)[O-])c(C(=O)NC3CCOCC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
MCHR1 Q99705 6/20 0.45
TMEM97 Q5BJF2 2/20 0.44
CCR3 P51677 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD4 P21917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13163951 0.88 MCHR1 (0.55) FGFR1FGFR2FGFR3MCHR1CCR3
SCHEMBL13634183 0.88 ALDH1A1 (0.49) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL13162756 0.87 POLB (0.50) FGFR1FGFR2FGFR3MCHR1CCR3
SCHEMBL2770332 0.87 ALDH1A1 (0.55) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL13162755 0.86 ALDH1A1 (0.52) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL13634234 0.86 ALDH1A1 (0.47) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL13162753 0.86 ALDH1A1 (0.49) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL13638860 0.78 ALDH1A1 (0.45) ALDH1A1FGFR1FGFR2FGFR3MCHR1
SCHEMBL2770947 0.77 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13162819 0.75 KMT2A (0.63) ALDH1A1KDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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 (1 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885FGFR1 16/4885FGFR2 222/4885

“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.