SCHEMBL6170906

SCHEMBL6170906

O=C(c1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ALDH1A2 O94788 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
HRH1 P35367 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
MEN1 O00255 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
SCHEMBL6169577 0.84 ALOX5AP (0.47) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL7672912 0.84 ALDH1A2 (0.45) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL7676791 0.83 AGTR1 (0.51) PKMALDH1A1ALDH1A2ALDH2ALDH3A1
SCHEMBL7675357 0.83 JAK2 (0.51) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL6168624 0.83 ALDH1A2 (0.45) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL7671284 0.82 AGTR1 (0.48) ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL7673764 0.79 PDE2A (0.51) ALDH1A1HPGDTSHRSMN1; SMN2USP2
SCHEMBL7705354 0.78 HRH1 (0.38) PKMALDH1A1ALDH1A2ALDH2ALDH3A1
SCHEMBL6172347 0.76 RAB9A (0.45) PKMALDH1A1NPC1RAB9AMEN1
SCHEMBL6170082 0.76 PDE2A (0.49) ALDH1A1HPGDTSHRSMN1; SMN2USP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
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 PKM 1183/4885HTR2B 3518/4885ALDH1A1 487/4885

“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.