SCHEMBL2005477

SCHEMBL2005477

NC(=O)OCCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
SLC13A5 Q86YT5 1/20 0.46
PDPK1 O15530 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
SOX18 P35713 1/20 0.44
CYP2A6 P11509 1/20 0.43
PLAU P00749 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
SCHEMBL3663873 0.84 CYP1A2 (0.48) CYP1A2HDAC1HDAC8SLC13A5PDPK1
SCHEMBL13034170 0.83 CYP1A2 (0.53) CYP1A2LMNAHDAC1HDAC8SLC13A5
SCHEMBL30924172 0.83 SLC1A3 (0.54) CYP1A2PPARGPPARDPPARASLC1A3
SCHEMBL1321228 0.83 SLC1A3 (0.54) CYP1A2PPARGPPARDPPARASLC1A3
Hydrochloric Acid SCHEMBL27558956 0.82 CYP1A2 (0.51) CYP1A2LMNAHDAC1HDAC8SLC13A5
SCHEMBL20809625 0.81 CYP1A2 (0.50) CYP1A2HDAC1HDAC8SLC13A5PDPK1
SCHEMBL28396379 0.80 CYP19A1 (0.43) LMNA
SCHEMBL29045152 0.80 KDM4E (0.61) LMNAHDAC1PPARGPPARDPPARA
SCHEMBL5267795 0.80 THRB (0.56) CYP1A2HDAC1HDAC8SLC13A5PDPK1
SCHEMBL22920624 0.80 APP (0.49) CYP1A2HDAC1HDAC8SLC13A5PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 CYP1A2 1037/4885LMNA 4491/4885HDAC1 302/4885

“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.