SCHEMBL4629067

SCHEMBL4629067

CCc1nnc(CC)n1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.39
CASP6 P55212 1/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
GAK O14976 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10011830 0.82
SCHEMBL18905844 0.78 GAA (0.33) GAACASP6ALDH1A1MAPTHPGD
SCHEMBL20153674 0.78 CYP1A2 (0.38) GAACASP6ALDH1A1MAPTHPGD
SCHEMBL2160231 0.77 ALDH1A1 (0.48) GAARAB9AALDH1A1HPGDL3MBTL1
SCHEMBL11608060 0.77 LMNA (0.40) GAACASP6ALDH1A1MAPTHPGD
SCHEMBL5924317 0.73 ALDH1A1 (0.66) GAARAB9AALDH1A1HPGDATM
SCHEMBL2436909 0.73
SCHEMBL11554063 0.72 HPGD (0.42) GAACASP6ALDH1A1MAPTHPGD
SCHEMBL10445651 0.71 HSD11B1 (0.38) ALDH1A1POLB
SCHEMBL18529402 0.71 HSD11B1 (0.35) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910302-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
WO-2007009687-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
EP-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-5318982-A Inhibiting crosslinking of proteins THE ROCKEFELLER UNIVERSITY (US) 1994-06-07 US disclosed
EP-0269308-B1 PROCESS FOR THE SYNTHESIS OF 4-AMINO-1,2,4-(4H)TRIAZOLE DERIVATIVES REILLY INDUSTRIES, INC. (US) 1993-03-17 EP disclosed
US-5099028-A Process for the synthesis of 4-amino-1,2,4-(4h)triazole derivatives REILLY TAR AND CHEMICAL CORPORATION (US) 1992-03-24 US disclosed
EP-0269308-A2 Process for the synthesis of 4-amino-1,2,4-(4H)triazole derivatives REILLY INDUSTRIES, INC. (US) 1988-06-01 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 GAA 476/4885CASP6 1328/4885RAB9A 3292/4885

“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.