Sugi Predict

Sugi Predict / Compounds / SCHEMBL6168775

SCHEMBL6168775

SCHEMBL6168775

CCOC(=O)c1ccc2nc(C)n(Cc3ccc(C=Cc4ccccc4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ DRD2 P14416 1/20 0.48
▸ PDE2A O00408 2/20 0.48
▸ PDE10A Q9Y233 1/20 0.46
▸ TNF P01375 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ APP P05067 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ PPARG P37231 3/20 0.44
▸ RORC P51449 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL6168772 1.00 HDAC1 (0.52) HDAC1HDAC6DRD2PDE2APDE10A
SCHEMBL6169424 0.90 TNF (0.56) HDAC1HDAC6PDE2APDE10ATNF
SCHEMBL7651460 0.89 PPARG (0.49) HDAC1HDAC6DRD2PDE2APDE10A
SCHEMBL7651459 0.89 PPARG (0.49) HDAC1HDAC6DRD2PDE2APDE10A
SCHEMBL6169712 0.89 HDAC1 (0.52) HDAC1HDAC6PDE2APDE10ATNF
SCHEMBL6168941 0.89 PDE2A (0.56) HDAC1HDAC6DRD2PDE2APDE10A
SCHEMBL6170856 0.89 HDAC1 (0.52) HDAC1HDAC6DRD2PDE2APDE10A
SCHEMBL6168542 0.88 HDAC1 (0.57) HDAC1HDAC6DRD2TNFKCNH2
SCHEMBL6170091 0.87 HDAC1 (0.50) HDAC1HDAC6PDE2APDE10ATNF
SCHEMBL6168567 0.84 MAPT (0.51) HDAC1HDAC6PDE2APDE10AF10

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 HDAC1 222/4885HDAC6 690/4885DRD2 4688/4885

“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.