SCHEMBL2241502

SCHEMBL2241502

CCOC(=O)C(C)(CC)Oc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
FBP1 P09467 11/20 0.42
OPRK1 P41145 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL14747760 0.89 ALDH1A1 (0.45) ALDH1A1FBP1THRBKMT2AGAA
SCHEMBL3786579 0.88 FBP1 (0.54) ALDH1A1FBP1THRBKMT2AMAPT
SCHEMBL12352842 0.79 S100A4 (0.38) ALDH1A1FBP1KMT2AGAAMEN1
SCHEMBL10081960 0.78 THRB (0.44) ALDH1A1FBP1THRBKMT2AGAA
SCHEMBL22122423 0.78 NPSR1 (0.47) ALDH1A1FBP1THRBKMT2AGAA
SCHEMBL16412249 0.77 THRB (0.42) ALDH1A1FBP1THRBKMT2AGAA
SCHEMBL16413068 0.76 THRB (0.42) ALDH1A1FBP1THRBKMT2AGAA
SCHEMBL4129191 0.75 ABCB1 (0.41) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL6960 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL9034807 0.75 FBP1 (0.56) ALDH1A1FBP1GAASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 288/4885FBP1 2299/4885OPRK1 543/4885

“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.