SCHEMBL6170198

SCHEMBL6170198

CCOC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
ALDH1A1 P00352 6/20 0.74
LMNA P02545 1/20 0.74
HTT P42858 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
HPGD P15428 4/20 0.72
HSD17B10 Q99714 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.65
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
SIRT2 Q8IXJ6 6/20 0.59
SIRT1 Q96EB6 5/20 0.59
SIRT3 Q9NTG7 2/20 0.59
MAPT P10636 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HCRTR1 O43613 2/20 0.47
RAB9A P51151 2/20 0.46

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
SCHEMBL6170190 0.90 KDM4E (0.69) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6088752 0.85 ALDH1A1 (1.00) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6169071 0.82 PKN1 (0.67) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8248442 0.81 PKN1 (0.65) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8284384 0.80 SIRT2 (0.70) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL7795900 0.80 PKN1 (0.64) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8294924 0.80 PKN1 (0.64) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8283877 0.80 PKN1 (0.64) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3944042 0.79 SMN1; SMN2 (1.00) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL14473810 0.79 PKN1 (0.62) KDM4EALDH1A1L3MBTL1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KDM4E 2132/4885ALDH1A1 487/4885LMNA 225/4885

“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.