SCHEMBL6169439

SCHEMBL6169439

CC(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1N.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.49
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
P4HTM Q9NXG6 3/20 0.47
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN1 P18031 1/20 0.45
EGFR P00533 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NCOR2 Q9Y618 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
SCHEMBL6168346 0.99 KMT2A (0.51) KMT2AMEN1LMNANPC1PTGS2
SCHEMBL6169323 0.80 POLB (0.56) KMT2ALMNANPC1HPGDALDH1A1
SCHEMBL6169259 0.79 HDAC8 (0.52) KMT2APTGS2PTGS1P4HTMHDAC1
SCHEMBL11640230 0.76 NPC1 (0.81) KMT2AMEN1LMNANPC1HDAC1
SCHEMBL11789120 0.76 ALDH1A1 (0.58) NPC1HDAC1L3MBTL1HPGDHDAC3
SCHEMBL2344997 0.75 GAA (0.63) KMT2AMEN1NPC1HDAC1HDAC6
SCHEMBL6169334 0.74 IDO1 (0.42) KMT2APTGS2PTGS1HDAC1HDAC6
SCHEMBL5931288 0.74 FLT1 (0.71) KMT2AMEN1LMNAPTGS2PTGS1
SCHEMBL6168579 0.74 ERAP2 (0.47) NPC1HDAC1HDAC6PTPN1HPGD
SCHEMBL6171844 0.73 MAPK1 (0.59) KMT2AMEN1LMNAPTGS2PTGS1

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 KMT2A 1590/4885MEN1 1677/4885LMNA 225/4885

“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.