SCHEMBL227454

SCHEMBL227454

O=[N+]([O-])c1cnccc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 5/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
CHUK O15111 1/20 0.39
CYP2D6 P10635 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
SCHEMBL2795290 0.83 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL29547967 0.83 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1HTTRAB9AMAPTMEN1
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL7106466 0.76 MAPT (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL31162406 0.76 MAPT (0.58) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL246756 0.76 MAPT (0.58) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL31451862 0.76 MAPT (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2602389 0.75 ALDH1A1 (0.54) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL10734254 0.75 ALDH1A1 (0.49) ALDH1A1HTTRAB9AMAPTMEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761813-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2017-09-12 US disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 US disclosed
WO-2015076600-A1 NOVEL LIGHT EMISSION COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2015-05-28 WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 US disclosed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (6 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885HTT 682/4885RAB9A 2393/4885
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDO1, IDO2, KYNU ALDH1A1 687/4885HTT 481/4885RAB9A 2877/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ALDH1A1 676/4885HTT 4631/4885RAB9A 2338/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ALDH1A1 2275/4885HTT 2359/4885RAB9A 1076/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885HTT 4740/4885RAB9A 2428/4885
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D ALDH1A1 24/4885HTT 1420/4885RAB9A 2148/4885

“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.