SCHEMBL6938372

SCHEMBL6938372

[CH2]c1ccc(NC(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.64
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
GFER P55789 1/20 0.57
KIF11 P52732 9/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
GLA P06280 1/20 0.50
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RAB9A P51151 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
SCHEMBL5062623 0.87 PEPD (0.80) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL1322717 0.78 PEPD (1.00) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL5536751 0.78 PEPD (0.67) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL6879129 0.78 MAPT (0.70) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL449122 0.76 ALDH1A1 (0.60) ALDH1A1NPC1MAPTGAAKIF11
SCHEMBL348736 0.76 F2 (0.42) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL8698243 0.76 PEPD (0.46) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL2235161 0.76 PEPD (0.64) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL95420 0.76 SMN1; SMN2 (0.67) ALDH1A1NPC1MAPTGAAMEN1
SCHEMBL8379303 0.76 PEPD (0.64) PEPDALDH1A1NPC1MAPTGAA

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
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP 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-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PEPD 625/4885ALDH1A1 257/4885NPC1 4306/4885

“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.