SCHEMBL2602389

SCHEMBL2602389

O=[N+]([O-])c1cnccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HTT P42858 5/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 1/20 0.47
MAPT P10636 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
VCAM1 P19320 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
CHUK O15111 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 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
SCHEMBL30407683 1.00 ALDH1A1 (0.54) ALDH1A1HTTRAB9AHIF1AMAPT
Ethylene SCHEMBL27749093 0.96 HTT (0.51) ALDH1A1HTTRAB9AHIF1AMAPT
SCHEMBL2602388 0.83 ALDH1A1 (0.50) ALDH1A1HTTRAB9AHIF1AMAPT
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL16657375 0.78 ALDH1A1 (0.70) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL27350487 0.77 ALDH1A1 (0.48) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL2645540 0.77 ALDH1A1 (0.47) ALDH1A1HTTRAB9AMAPTMEN1
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL1351778 0.76 MAPT (0.56) ALDH1A1HTTRAB9AHIF1AMAPT
SCHEMBL319309 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-105968111-A Pyridino-imidazole derivatives as well as preparation method and application thereof 华润赛科药业有限责任公司 2016-09-28 CN disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US disclosed
WO-2014199164-A1 DIARYL SUBSTITUTED HETEROAROMATIC COMPOUNDS AMPLA PHARMACEUTICALS, INC. (US) 2014-12-18 WO disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
EP-0257508-B1 SUBSTITUTED QUINOXALINES G.D. Searle & Co. (US) 1992-09-30 EP disclosed
US-4761414-A TREATMENT OF INFECTIOUS DISEASES CAUSED BY ANAEROBIC BACTERIA G. D. SEARLE & CO. (US) 1988-08-02 US disclosed
EP-0257508-A1 Substituted quinoxalines G.D. Searle & Co. (US) 1988-03-02 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 (4 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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ALDH1A1 996/4885HTT 4585/4885RAB9A 3604/4885
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 ALDH1A1 1646/4885HTT 4337/4885RAB9A 4686/4885
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ALDH1A1 1026/4885HTT 4534/4885RAB9A 3787/4885
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 ALDH1A1 2760/4885HTT 984/4885RAB9A 1395/4885

“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.