SCHEMBL6169949

SCHEMBL6169949

Cc1nc2ccc(C(=O)OCc3ccccc3C#N)cc2n1Cc1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL6169918 0.86 LMNA (0.47) NPC1RAB9AHSD17B10MAPTMAPK1
SCHEMBL6170560 0.82 HTT (0.54) KMT2ASMN1; SMN2NPC1RAB9AHTT
SCHEMBL6169575 0.79 RAB9A (0.57) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6170200 0.78 PPARG (0.52) HTTHSD17B10HDAC1HDAC6PDE2A
SCHEMBL6169005 0.77 PDE2A (0.55) KMT2ASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6169739 0.77 PDE2A (0.49) KMT2ANPC1RAB9ATDP1HSD17B10
SCHEMBL6170293 0.76 MEN1 (0.48) KMT2ASMN1; SMN2NPC1RAB9AHTT
SCHEMBL6171302 0.76 PDE2A (0.54) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6169540 0.75 KIF11 (0.49) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL6169424 0.74 TNF (0.56) NPC1RAB9ATDP1HSD17B10MAPT

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 1590/4885SMN1; SMN2 4367/4885NPC1 827/4885

“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.