SCHEMBL4253169

SCHEMBL4253169

COC(=O)Cc1c(C)cnn(Cc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
NPBWR1 P48145 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.43
PFKFB3 Q16875 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27751748 0.80 TSHR (0.48) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL4254368 0.80 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4251584 0.78 ALDH1A1 (0.57) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL3175227 0.77 L3MBTL1 (0.59) RAB9ALMNASMN1; SMN2TP53MAPT
SCHEMBL509141 0.75 GAA (0.64) NPC1LMNAP2RX7GAA
SCHEMBL19000720 0.75 TSHR (0.61) TSHRLMNASMN1; SMN2MAPTNPBWR1
SCHEMBL4254704 0.74 TSHR (0.44) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL18454995 0.74 HTT (0.59) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL22989949 0.72 NPBWR1 (0.52) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12438552 0.71 POLB (0.46) TSHRLMNASMN1; SMN2MAPTMEN1

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 4747/4885NPC1 3383/4885RAB9A 3925/4885

“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.