SCHEMBL2193087

SCHEMBL2193087

NC1=CC(=O)C(=O)C=C1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.32
PTPN1 P18031 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI3 Q9ULW8 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PADI2 Q9Y2J8 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL10964095 0.75 ALOX15 (0.36) PTPN1MAOAMAOB
SCHEMBL21819582 0.71 NSD2 (0.43) NSD2PTPN1HKDC1PADI1PADI3
SCHEMBL461353 0.69 MAOA (0.31) MAOAMAOB
SCHEMBL27402272 0.69
SCHEMBL28210086 0.65 PTPN1 (0.36) PTPN1MAOAMAOB
SCHEMBL4964070 0.65 NSD2 (0.43) NSD2PTPN1HKDC1PADI1PADI3
SCHEMBL10780286 0.63 MAOA (0.50) MAOAMAOB
SCHEMBL7195409 0.63 MEN1 (0.37)
SCHEMBL28422242 0.63 XIAP (0.38)
SCHEMBL7196136 0.61 ALDH1A1 (0.31)

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-8173806-B2 Method for production of quinazolin-4-one derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-05-08 US disclosed
EP-1997812-B1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE MITSUBISHI GAS CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-20090054646-A1 Method for Production of Quinazolin 4-One Derivative MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-02-26 US disclosed
EP-1997812-A1 METHOD FOR PRODUCTION OF QUINAZOLIN-4-ON DERIVATIVE Mitsubishi Gas Chemical Company, Inc. (JP) 2008-12-03 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-20090054646-A1 Method for Production of Quinazolin 4-One Derivative NQO2, ALDH7A1, ALAD NSD2 3529/4885PTPN1 3375/4885HKDC1 1418/4885

“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.