SCHEMBL5478043

SCHEMBL5478043

O=[N+]([O-])c1cc2c(cc1Br)OC(F)(F)C(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 7/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CTSB P07858 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL23493163 0.89 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTPKM
SCHEMBL229622 0.74 MAPT (0.62) CYP1A2CYP2C9CYP2C19MAPTPKM
SCHEMBL3519630 0.74 MAPT (0.62) MAPTPKMMAPK1ALDH1A1MEN1
SCHEMBL8758907 0.73 TXNRD1 (0.30) ALDH1A1CYP3A4TXNRD1TXNRD3TXNRD2
SCHEMBL9452645 0.73 ALDH1A1 (0.52) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL6989713 0.72 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL3179870 0.71 ALDH1A1 (0.50) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL15826052 0.69 MAPT (0.48) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL10431416 0.69 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19MAPTPKM
SCHEMBL30849385 0.69 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066671-A1 Substituted benzimidazoles, production and use thereof as agents for combating parasitic protozoas BAYER AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070066671-A1 Substituted benzimidazoles, production and use thereof as agents for combating parasitic protozoas BAYER AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070066671-A1 Substituted benzimidazoles, production and use thereof as agents for combating parasitic protozoas BAYER AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20040010025-A1 Substituted benzimidazoles, their preparation and their use as agents against parasitic protozoa GREIF GISELA (DE) 2004-01-15 US disclosed
EP-1177191-B1 SUBSTITUTED BENZIMIDAZOLE, THE PRODUCTION THEREOF AND THE USE THEREOF AS MEANS AGAINST PARASITIC PROTOZOA BAYER AG (DE) 2003-12-10 EP disclosed
EP-1097154-B1 SUBSTITUTED BENZIMIDAZOLES, PRODUCTION AND USE THEREOF AS AGENTS FOR COMBATING PARASITIC PROTOZOAS BAYER AG (DE) 2003-10-01 EP disclosed
US-6620833-B1 Coccidiosis treatment; 4,5-tetrafluoroethylenedioxybenzimidazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-6569881-B1 For mixture with polyether antibiotics or synthetically prepared coccidiosis agents BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed
WO-2003002115-A2 SUBSTITUTED BENZIMIDAZOLES FOR CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 WO disclosed
EP-1177191-A1 SUBSTITUTED BENZIMIDAZOLE, THE PRODUCTION THEREOF AND THE USE THEREOF AS MEANS AGAINST PARASITIC PROTOZOA Bayer Aktiengesellschaft (DE) 2002-02-06 EP disclosed
EP-1097154-A1 SUBSTITUTED BENZIMIDAZOLES, PRODUCTION AND USE THEREOF AS AGENTS FOR COMBATING PARASITIC PROTOZOAS Bayer Aktiengesellschaft (DE) 2001-05-09 EP disclosed
WO-2000068225-A1 SUBSTITUTED BENZIMIDAZOLE, THE PRODUCTION THEREOF AND THE USE THEREOF AS MEANS AGAINST PARASITIC PROTOZOA BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000004022-A1 SUBSTITUTED BENZIMIDAZOLES, PRODUCTION AND USE THEREOF AS AGENTS FOR COMBATING PARASITIC PROTOZOAS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 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 (2 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-20040010025-A1 Substituted benzimidazoles, their preparation and their use as agents against parasitic protozoa CYP2E1, CBR1, BAK1 CYP1A2 41/4885CYP2C9 169/4885CYP2C19 109/4885
US-20070066671-A1 Substituted benzimidazoles, production and use thereof as agents for combating parasitic protozoas CBR1, CBR3, H1-3 CYP1A2 51/4885CYP2C9 251/4885CYP2C19 149/4885

“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.