SCHEMBL6168828

SCHEMBL6168828

CCCCS(=O)(=O)NC(=O)c1ccc(NC(C)=O)c(NCc2ccc(-c3ccccn3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
HDAC8 Q9BY41 3/20 0.40
GPR39 O43194 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
PPARG P37231 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
GABRA5 P31644 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BDKRB1 P46663 1/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15951348 0.75 PTPN1 (0.76) PTPN1TRPV1PPARGGABRA5HDAC6
SCHEMBL1178528 0.73 PPARG (0.59) PTPN1PPARGHDAC1HDAC6
SCHEMBL6168036 0.71 LMNA (0.46) PPARGBRD4POLB
SCHEMBL6169006 0.71 PTPN1 (0.45) PTPN1HDAC8POLB
SCHEMBL6168579 0.71 ERAP2 (0.47) PTPN1HDAC8PPARGPIK3C3HDAC1
SCHEMBL6169259 0.71 HDAC8 (0.52) PTPN1HDAC8BRD4HDAC1HDAC6
SCHEMBL1160096 0.69 PTPN1 (0.40) PTPN1HDAC8PPARGGABRA5HDAC1
SCHEMBL6172349 0.68 KMT2A (0.46) PTPN1POLB
SCHEMBL6168841 0.68 KMT2A (0.57) POLB
SCHEMBL6171685 0.67 BCL2L1 (0.54) BRD4POLB

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 PTPN1 3982/4885HDAC8 183/4885GPR39 4689/4885

“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.