SCHEMBL2469875

SCHEMBL2469875

O=[N+]([O-])Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALOX12 P18054 2/20 0.43
RAB9A P51151 1/20 0.42
FBP1 P09467 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HSPB1 P04792 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31732365 0.80 ALDH1A1 (0.38) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL10835888 0.76 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL8595756 0.76 SOS1 (0.37) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7078201 0.76 MAPT (0.49) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2333437 0.76 MAPT (0.50) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL45336 0.76 ALDH1A1 (0.50) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL30336 0.76 MAPT (0.47) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL4953735 0.76 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL11564188 0.76 EPHX2 (0.48) MAPTRAB9AFBP1
SCHEMBL3712468 0.76 ALDH3A1 (0.47) ALDH1A1HTTMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151178-B 2-amino-4-(beta-hydroxyethyl amino) methyl phenyl ethers anisole and the preparation method of sulfate thereof 江苏鼎龙科技有限公司 2016-08-17 CN disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-20060189788-A1 Cyclic ether copolymer, coating resin composition, optical devices, and process for production of the devices DAIKIN INDUSTRIES, LTD. (JP) 2006-08-24 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH1A1 1337/4885HTT 4634/4885MAPT 3359/4885

“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.