SCHEMBL2770947

SCHEMBL2770947

O=C(NC1CCOCC1)c1cc(CBr)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13634274 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL13162755 0.83 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13163923 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL2770332 0.82 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2770068 0.81 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMAPTKDM1A
SCHEMBL13162536 0.81 ALDH1A1 (0.61) ALDH1A1TDP1CHEK1MAPTKDM1A
SCHEMBL13634183 0.81 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13162753 0.81 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13634234 0.79 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL13162266 0.79 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A

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 7 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

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 1659/4885L3MBTL1 3953/4885NPC1 4144/4885

“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.