SCHEMBL4553049

SCHEMBL4553049

O=c1ccc2cc(F)c(OC[C@@H]3CCCN3c3ccc([N+](=O)[O-])cc3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
FAAH O00519 4/20 0.36
MGLL Q99685 1/20 0.36
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
FFAR1 O14842 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL4553364 0.76 IDH1 (0.44) CHRNB4CHRNA3POLBPKM
SCHEMBL791700 0.70 MAPT (0.46) PPARGCHRNB4CHRNA3FFAR1
SCHEMBL12006635 0.70 MAPT (0.46) PPARGCHRNB4CHRNA3FFAR1
SCHEMBL12006634 0.70 MAPT (0.46) PPARGCHRNB4CHRNA3FFAR1
SCHEMBL4552921 0.69 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29772115 0.67 MAPT (0.42) PPARGCHRNB4CHRNA3POLB
SCHEMBL31388210 0.67 POLB (0.41) POLBPKM
SCHEMBL13292851 0.67 KMT2A (0.50) CHRNB4CHRNA3
SCHEMBL6095682 0.67 MAPT (0.47) PPARGPOLBFFAR1
SCHEMBL223024 0.67 MAPT (0.47) PPARGPOLBFFAR1

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-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US 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 (4 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-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 PPARG 3272/4885CHRNB4 1866/4885CHRNA3 792/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 PPARG 3272/4885CHRNB4 1866/4885CHRNA3 792/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 PPARG 3272/4885CHRNB4 1866/4885CHRNA3 792/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 PPARG 3272/4885CHRNB4 1866/4885CHRNA3 792/4885

“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.