SCHEMBL546450

SCHEMBL546450

O=[N+]([O-])c1ccc(CN2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPT P10636 4/20 0.64
KCNJ1 P48048 2/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CTSB P07858 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NCF1 P14598 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL30061320 1.00 ALDH1A1 (0.64) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL16054038 0.96 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL27985029 0.87 CTSB (0.60) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL29710198 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL27087824 0.87 ALDH1A1 (0.68) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL6609562 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL21600747 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL14941460 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL5238095 0.85 ALDH1A1 (0.57) ALDH1A1MAPTKCNJ1LMNASMN1; SMN2
SCHEMBL16054847 0.84 L3MBTL1 (0.61) ALDH1A1MAPTSMN1; SMN2HRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242228-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS UNIVERSITEIT LEIDEN (NL) 2023-12-21 WO disclosed
EP-4293019-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS Netherlands Translational Research Center Holding B.V. (NL) 2023-12-20 EP disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
CN-104211692-B Derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-104447701-B Pyrazole derivatives and application thereof 广东东阳光药业有限公司 2019-03-22 CN disclosed
CN-105008348-B Pyrazolylbenzo [ D ] imidazole derivatives 赛隆制药股份公司 2018-07-10 CN disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
CN-1845734-A Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2006-10-11 CN disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885MAPT 1807/4885KCNJ1 2859/4885

“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.