SCHEMBL6168810

SCHEMBL6168810

O=C(NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])c(NCc2ccc(-c3ccccc3)cc2)c1.[KH]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
BCL2L1 Q07817 11/20 0.50
MCL1 Q07820 10/20 0.50
BCL2 P10415 3/20 0.49
APP P05067 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FBP1 P09467 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 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
SCHEMBL27490824 0.99 HDAC8 (0.52) HDAC8BCL2L1MCL1BCL2APP
SCHEMBL6172936 0.82 HDAC8 (0.56) HDAC8BCL2L1MCL1
Potassium SCHEMBL6169298 0.81 HDAC8 (0.55) HDAC8BCL2L1MCL1
SCHEMBL6172330 0.81 HDAC8 (0.54) HDAC8BCL2L1MCL1
SCHEMBL6170460 0.78 FLT1 (0.47) BCL2L1MCL1BCL2L3MBTL1MEN1
SCHEMBL14106476 0.77 KMT2A (0.59) BCL2L1MCL1BCL2L3MBTL1MEN1
SCHEMBL6172767 0.77 HDAC8 (0.52) HDAC8BCL2L1MCL1MEN1MAPT
SCHEMBL6168605 0.77 HDAC1 (0.50) HDAC8BCL2L1MCL1
SCHEMBL7938312 0.76 APP (0.64) APPL3MBTL1MEN1MAPTKMT2A
SCHEMBL1840592 0.76 APP (0.60) HDAC8APPMAPTHTR6

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-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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 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 HDAC8 183/4885BCL2L1 636/4885MCL1 7/4885

“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.