Sugi Predict

Sugi Predict / Compounds / SCHEMBL6168941

SCHEMBL6168941

SCHEMBL6168941

CCOC(=O)c1ccc2nc(C)n(Cc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.56
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SPHK1 Q9NYA1 1/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ PPARG P37231 3/20 0.48
▸ TNF P01375 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ F2RL3 Q96RI0 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ RARA P10276 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ NOD2 Q9HC29 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
SCHEMBL6169424 0.93 TNF (0.56) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6169712 0.91 HDAC1 (0.52) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6170856 0.91 HDAC1 (0.52) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6170729 0.89 PPARG (0.54) PDE2ARAB9ANPC1SIRT2SIRT1
SCHEMBL6170091 0.89 HDAC1 (0.50) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6168772 0.89 HDAC1 (0.52) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6168775 0.89 HDAC1 (0.52) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6171282 0.88 PDE2A (0.48) PDE2AHDAC1HDAC6SPHK1PPARG
SCHEMBL6301641 0.88 PDE2A (0.51) PDE2AHDAC1HDAC6RAB9ANPC1
SCHEMBL6170384 0.88 HDAC1 (0.57) HDAC1HDAC6RAB9ASPHK1PPARG

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 7 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-6369092-B1 Method for treating neoplasia by exposure to substituted benzimidazole derivatives CELL PATHWAYS, INC. 2002-04-09 — — 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 3774/4885HDAC1 222/4885HDAC6 690/4885

“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.