SCHEMBL3174185

SCHEMBL3174185

COC(=O)Cc1c(C)cc[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 7/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.39
KDM4E B2RXH2 11/20 0.39
HSD17B10 Q99714 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 5/20 0.38
TP53 P04637 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL16111196 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL6209666 0.77 KMT2A (0.42) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL2687097 0.74 EGFR (0.45) SMN1; SMN2ALDH1A1GAAMAPTKMT2A
SCHEMBL17060505 0.74 DAO (0.34) ALDH1A1MAPTKDM4EHSD17B10RAB9A
SCHEMBL11078552 0.73 KDM4E (0.40) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL27788591 0.73 KDM4E (0.46) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL10110509 0.72 NOS3 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4255990 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL27403709 0.72 KDM4E (0.50) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL3171866 0.71 KDM4E (0.45) SMN1; SMN2ALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 US disclosed
EP-2079698-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-07-22 EP disclosed
WO-2008056898-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 WO disclosed
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD CASP1, CASP5, CASP2 SMN1; SMN2 2012/4885ALDH1A1 3290/4885GAA 2079/4885
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT SMN1; SMN2 3414/4885ALDH1A1 1813/4885GAA 739/4885

“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.