SCHEMBL4254368

SCHEMBL4254368

COC(=O)Cc1c(C)cnn(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
AEBP2 Q6ZN18 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 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
SCHEMBL4253169 0.80 TSHR (0.53) TSHRGAAALDH1A1L3MBTL1HPGD
SCHEMBL27751733 0.79 MAPK1 (0.46) GAAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL31584709 0.77 P2RX7 (0.54) TSHRGAAALDH1A1L3MBTL1HPGD
SCHEMBL3179506 0.76 GAA (0.47) TSHRGAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL27158144 0.76 SMN1; SMN2 (0.49) TSHRGAAALDH1A1L3MBTL1HPGD
SCHEMBL11255334 0.74 TSHR (0.76) TSHRRAB9ANPC1
SCHEMBL1779853 0.73 TSHR (0.62) TSHRALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1780230 0.73 TSHR (0.62) TSHRALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21382677 0.73 MAPK1 (0.50) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL4252487 0.73 ALDH1A1 (0.46) GAAALDH1A1HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 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 (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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 TSHR 4747/4885GAA 1409/4885ALDH1A1 3705/4885

“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.