SCHEMBL3098451

SCHEMBL3098451

CCOC(=O)c1nc2ccccc2cc1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 1/20 0.43
CDC25B P30305 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
ELANE P08246 1/20 0.43
PRNP P04156 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL8582386 0.91 TSHR (0.55) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL2409453 0.84 KDM4E (0.66) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL8630313 0.82 KDM4E (0.51) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL30288437 0.82 KDM4E (0.51) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL27828993 0.81 IKBKB (0.50) KDM4EKMT2AMAPK1ALDH1A1HPGD
SCHEMBL5162666 0.81 KDM4E (0.49) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL1506709 0.81 KDM4E (0.49) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL1506611 0.81 ALDH1A1 (0.50) TSHRKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL1034564 0.81 TSHR (0.68) TSHRKDM4EKMT2AALDH1A1HPGD
SCHEMBL118766 0.81 KDM4E (0.46) TSHRKDM4EKMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US 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 (4 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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TSHR 337/4885KDM4E 1052/4885KMT2A 904/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TSHR 332/4885KDM4E 1187/4885KMT2A 1033/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TSHR 332/4885KDM4E 1187/4885KMT2A 1033/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 TSHR 207/4885KDM4E 1089/4885KMT2A 1065/4885

“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.