SCHEMBL6169719

SCHEMBL6169719

CCOC(=O)c1ccc2nc(C)n(Cc3ccccc3[N+](=O)[O-])c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
PDE2A O00408 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 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
SCHEMBL6170066 0.92 KDM4E (0.51) AGTR1AGTR2PDE2AALDH1A1GAA
SCHEMBL6169361 0.88 AGTR1 (0.58) AGTR1AGTR2KMT2AHTTMEN1
SCHEMBL6169575 0.85 RAB9A (0.57) PDE2AALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6169005 0.83 PDE2A (0.55) PDE2AALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6170293 0.82 MEN1 (0.48) AGTR1AGTR2PDE2AALDH1A1GAA
SCHEMBL6168664 0.82 LMNA (0.55) KMT2AHTTMEN1LMNAKDM4E
SCHEMBL6171302 0.82 PDE2A (0.54) PDE2AALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6309555 0.82 PPARG (0.49) PDE2AALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6169540 0.81 KIF11 (0.49) PDE2AALDH1A1KMT2AMEN1RAB9A
SCHEMBL6169424 0.81 TNF (0.56) PDE2AALDH1A1GAARAB9ANPC1

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 AGTR1 4001/4885AGTR2 3926/4885PDE2A 3774/4885

“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.