SCHEMBL4197894

SCHEMBL4197894

CCOC(=O)Nc1cccc(CO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 1/20 0.61
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
F2R P25116 1/20 0.56
PARP1 P09874 1/20 0.55
MTNR1B P49286 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52

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
SCHEMBL5179975 0.92 MAPK1 (0.56) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL21349100 0.89 MAPK1 (0.66) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL6212581 0.88 MAPK1 (0.61) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL7475224 0.88 MAPK1 (0.64) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL7565149 0.87 MAPK1 (0.81) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL4129269 0.86 MAPK1 (0.62) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL8796753 0.85 CYP4F2 (0.60) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL28770758 0.85 RAB9A (0.69) MAPK1LMNAMAPTALDH1A1NPC1
SCHEMBL17150491 0.85 PDK1 (0.56) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL8867305 0.85 MAPT (0.61) MAPK1LMNAMAPTHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709314-A Efflux pump inhibitor and its therapeutic use 巴斯利尔药物国际股份公司 2018-02-16 CN disclosed
US-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 US disclosed
US-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2010-07-15 US disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2010-07-15 US disclosed
US-20090005364-A1 Azole Derivatives With Antimuscarinic Activity CHIESI FARMACEUTICI S.P.A. (IT) 2009-01-01 US disclosed
EP-1828163-A2 AZOLE DERIVATIVES WITH ANTIMUSCARINIC ACTIVITY CHIESI FARMACEUTICI S.p.A. (IT) 2007-09-05 EP disclosed
WO-2006066924-A2 AZOLE DERIVATIVES WITH ANTIMUSCARINIC ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2006-06-29 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 (3 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET MAPK1 98/4885LMNA 2650/4885MAPT 4114/4885
US-20090005364-A1 Azole Derivatives With Antimuscarinic Activity CHRM2, CHRM3, CHRM1 MAPK1 1929/4885LMNA 2821/4885MAPT 2824/4885
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MAPK1 73/4885LMNA 2534/4885MAPT 4161/4885

“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.