SCHEMBL6168542

SCHEMBL6168542

Cc1nc2ccc(C(=O)O)cc2n1Cc1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 3/20 0.57
TNF P01375 1/20 0.50
KCNH2 Q12809 1/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
APP P05067 1/20 0.48
DRD2 P14416 1/20 0.48
AGTR1 P30556 3/20 0.47
AGTR2 P50052 3/20 0.47
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
ACSS2 Q9NR19 1/20 0.47
PPARG P37231 2/20 0.46
PTAFR P25105 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 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
SCHEMBL6169195 0.89 TNF (0.62) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL6168775 0.88 HDAC1 (0.52) HDAC1HDAC6TNFKCNH2HDAC2
SCHEMBL6168772 0.88 HDAC1 (0.52) HDAC1HDAC6TNFKCNH2HDAC2
SCHEMBL7658106 0.87 PPARG (0.51) HDAC1HDAC6TNFKCNH2HDAC2
SCHEMBL7658110 0.87 PPARG (0.51) HDAC1HDAC6TNFKCNH2HDAC2
SCHEMBL6172134 0.87 HDAC1 (0.57) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL6170384 0.87 HDAC1 (0.57) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL6170393 0.87 HDAC1 (0.57) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL6172060 0.84 HDAC1 (0.54) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL6169939 0.84 HDAC1 (0.53) HDAC1HDAC6TNFAGTR1AGTR2

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 690/4885TNF 4311/4885

“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.