SCHEMBL2770068

SCHEMBL2770068

Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.43
FPR1 P21462 1/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
F12 P00748 1/20 0.43
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13162265 0.90 ALDH1A1 (0.51) ALDH1A1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL13162536 0.85 ALDH1A1 (0.61) ALDH1A1MAPTKDM1A
SCHEMBL13162266 0.84 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKDM1AHSD17B10
SCHEMBL2770947 0.81 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMAPTCYP2C19
SCHEMBL21349122 0.80 KDM1A (0.58) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13162001 0.80 NPC1 (0.55) ALDH1A1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL19174812 0.80 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPTTSHR
SCHEMBL13163926 0.79 ALDH1A1 (0.61) ALDH1A1NPC1RAB9A
SCHEMBL13163922 0.78 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMAPT
SCHEMBL13634274 0.78 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPT

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
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
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
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 1659/4885TAS1R3 432/4885TAS1R1 462/4885

“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.