SCHEMBL6170448

SCHEMBL6170448

COC(=O)c1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MME P08473 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KIF11 P52732 1/20 0.40
DYRK1A Q13627 1/20 0.40
DHODH Q02127 4/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL30989155 0.85 KDM4E (0.42) KDM4EALDH1A1TDP1HSP90AA1ESR2
SCHEMBL6487097 0.85 CA12 (0.46) KDM4EALDH1A1MMETDP1HSP90AA1
SCHEMBL13908143 0.85 PNP (0.43) KDM4EALDH1A1TDP1LMNAL3MBTL1
SCHEMBL3644443 0.84 CA12 (0.45) KDM4EALDH1A1MMETDP1HSP90AA1
Hydrochloric Acid SCHEMBL2132171 0.82 CA12 (0.44) KDM4EALDH1A1MMETDP1HSP90AA1
SCHEMBL1144471 0.82 HSP90AA1 (0.57) ALDH1A1MMETDP1HSP90AA1ESR2
SCHEMBL25240714 0.81 SMN1; SMN2 (0.42) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL159894 0.80 ACACB (0.43) KDM4EALDH1A1LMNAL3MBTL1HTT
Hydrochloric Acid SCHEMBL14775596 0.79 ACACB (0.42) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL7307354 0.78 MAPT (0.43) KDM4EALDH1A1LMNAL3MBTL1GAA

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 487/4885MME 3358/4885

“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.