SCHEMBL6169714

SCHEMBL6169714

CCOC(=O)c1ccc2nc(C)n(C(C(=O)c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.51
ALOX15 P16050 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PDE10A Q9Y233 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACP1 P24666 1/20 0.43
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 1/20 0.41
MAT2A P31153 1/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6170399 0.86 HSD17B10 (0.48) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6169496 0.82 PDE2A (0.51) PDE2AALOX15NPC1RAB9APDE10A
SCHEMBL6169424 0.75 TNF (0.56) PDE2AALOX15NPC1RAB9APDE10A
SCHEMBL6169712 0.74 HDAC1 (0.52) PDE2AALOX15NPC1RAB9APDE10A
SCHEMBL6168941 0.72 PDE2A (0.56) PDE2ANPC1RAB9APDE10ASIRT2
SCHEMBL6170856 0.72 HDAC1 (0.52) PDE2ANPC1RAB9APDE10AMEN1
SCHEMBL6169575 0.71 RAB9A (0.57) PDE2AALOX15NPC1RAB9APDE10A
Benzoin SCHEMBL1170058 0.70 LMNA (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6171302 0.70 PDE2A (0.54) PDE2AALOX15NPC1RAB9APDE10A
SCHEMBL6170091 0.70 HDAC1 (0.50) PDE2AALOX15NPC1RAB9APDE10A

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 PDE2A 3774/4885ALOX15 1952/4885NPC1 827/4885

“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.