SCHEMBL5237232

SCHEMBL5237232

COC(=O)c1c(C=O)c(C)c(C)n1CC1C[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PARG Q86W56 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL7477529 1.00 LMNA (0.31) LMNAMAPTNPSR1ALDH1A1PARG
SCHEMBL5237222 1.00 LMNA (0.31) LMNAMAPTNPSR1ALDH1A1PARG
SCHEMBL7486844 0.88 LMNA (0.40) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL7476209 0.84 NOTUM (0.38) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL7475441 0.81 MAPK8 (0.40) LMNAMAPTALDH1A1
SCHEMBL7485767 0.76 LMNA (0.32) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL7483009 0.76 ALDH1A1 (0.34) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL7479670 0.75 MEN1 (0.36) LMNAMAPTNPSR1ALDH1A1HTT
SCHEMBL7482378 0.75 ALDH1A1 (0.37) LMNAMAPTNPSR1ALDH1A1
SCHEMBL7475018 0.75 KDM4E (0.32) LMNAMAPTNPSR1ALDH1A1HTT

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
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP disclosed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US disclosed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
US-6670360-B2 Antiulcer, antibacterial activity against Helicobacter pylori SANKYO COMPANY, LIMITED (JP) 2003-12-30 US disclosed
EP-1186607-B1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS SANKYO CO (JP) 2003-05-21 EP disclosed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP disclosed
US-20020156079-A1 Optically active pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2002-10-24 US disclosed
EP-1186607-A1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS Sankyo Company, Limited (JP) 2002-03-13 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 (2 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-20020156079-A1 Optically active pyrrolopyridazine derivatives GIPR, HRH2, PGA5 LMNA 4793/4885MAPT 4805/4885NPSR1 2370/4885
US-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR LMNA 4230/4885MAPT 4872/4885NPSR1 3769/4885

“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.