SCHEMBL524841

SCHEMBL524841

CCOC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
PPARA Q07869 1/20 0.46
CNR1 P21554 7/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL201045 0.81 LMNA (0.50) HPGDSMN1; SMN2TSHRPPARACNR1
SCHEMBL3374716 0.81 PPARA (0.62) POLBGAAMAPK1ABCB11CYP1A2
SCHEMBL3584331 0.80 KMT2A (0.51) HPGDSMN1; SMN2TSHRCNR1LMNA
SCHEMBL199907 0.80 LMNA (0.49) HPGDSMN1; SMN2TSHRCNR1LMNA
Hydrochloric Acid SCHEMBL199908 0.80 LMNA (0.49) HPGDSMN1; SMN2TSHRPPARACNR1
SCHEMBL7977777 0.79 PPARA (0.68) POLBABCB11CYP1A2CYP3A4TSHR
SCHEMBL3528526 0.77 PPARA (0.45) GAAABCB11CYP1A2CYP3A4TSHR
SCHEMBL17315771 0.76 GAA (0.54) POLBGAAHPGDSMN1; SMN2MAPK1
SCHEMBL13750484 0.75 HPGD (0.52) POLBGAAHPGDSMN1; SMN2MAPK1
SCHEMBL32691000 0.75 POLB (0.47) POLBGAAHPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598491-B1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LTD (IN) 2015-09-02 EP disclosed
US-8871765-B2 Substituted 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one derivatives as poly (ADP-ribose) polymerase-1 inhibitors CADILA HEALTHCARE LIMITED (IN) 2014-10-28 US disclosed
EP-2598491-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS Cadila Healthcare Limited (IN) 2013-06-05 EP disclosed
US-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2013-05-30 US disclosed
WO-2012014221-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2012-02-02 WO disclosed
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US disclosed
EP-1879582-A4 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 2009-05-13 EP disclosed
EP-1879582-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 2008-01-23 EP disclosed
WO-2006119260-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 2006-11-09 WO 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 (2 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-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS PARP1, PARP2, PARP11 POLB 26/4885GAA 1680/4885HPGD 1406/4885
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity DPP4, DPP3, DPP7 POLB 3886/4885GAA 1025/4885HPGD 2964/4885

“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.