SCHEMBL4453239

SCHEMBL4453239

O=[N+]([O-])c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.89
LTA4H P09960 2/20 0.79
PTGS2 P35354 2/20 0.79
PTGS1 P23219 1/20 0.79
KDM4E B2RXH2 3/20 0.73
ALDH1A1 P00352 3/20 0.73
TDP1 Q9NUW8 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.65
SLC6A4 P31645 1/20 0.64
HRH2 P25021 1/20 0.61
HRH1 P35367 1/20 0.61
KCNH2 Q12809 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL491607 0.98 HRH3 (0.86) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL21814264 0.98 HRH3 (0.86) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL5856034 0.97 HRH3 (0.84) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL4994427 0.94 HRH3 (0.94) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL490968 0.94 HRH3 (1.00) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL5857282 0.93 HRH3 (0.97) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL519633 0.92 LTA4H (0.91) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL4992188 0.91 LTA4H (0.89) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL4557618 0.91 HRH3 (0.74) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL521113 0.88 HRH3 (0.71) HRH3LTA4HPTGS2PTGS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131664-A1 Method for Producing 4(3H)-Quinazolinone Derivative MSD K.K. (JP) 2009-05-21 US claimed
EP-1903040-A1 METHOD FOR PRODUCING 4(3H)-QUINAZOLINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-03-26 EP claimed
US-7790731-B2 Crystal form of 2-methyl-3-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-5-trifluoromethyl-4(3H)-quinazolinone BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-09-07 US disclosed
US-7790731-B2 Crystal form of 2-methyl-3-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-5-trifluoromethyl-4(3H)-quinazolinone BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-09-07 US disclosed
US-20090131664-A1 Method for Producing 4(3H)-Quinazolinone Derivative MSD K.K. (JP) 2009-05-21 US disclosed
US-20080139589-A1 Crystal of 4(3H)-Quinazolinone Derivative MSD K.K. (JP) 2008-06-12 US disclosed
US-20080139589-A1 Crystal of 4(3H)-Quinazolinone Derivative MSD K.K. (JP) 2008-06-12 US disclosed
EP-1903040-A1 METHOD FOR PRODUCING 4(3H)-QUINAZOLINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-03-26 EP disclosed
EP-1852423-A1 CRYSTAL OF 4(3H)-QUINAZOLINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 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-20080139589-A1 Crystal of 4(3H)-Quinazolinone Derivative HRH3, HRH1, HRH4 HRH3 1/4885LTA4H 1273/4885PTGS2 1352/4885

“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.