SCHEMBL5203482

SCHEMBL5203482

ClCCCCn1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.42
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
DPP4 P27487 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FOLH1 Q04609 1/20 0.31
SLC9A1 P19634 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL725806 0.98 CYP19A1 (0.41) CYP19A1ATP4AATP4BDPP4SLC6A2
SCHEMBL1892841 0.93
SCHEMBL6339919 0.84
SCHEMBL27085527 0.78 DPP4 (0.41) CYP19A1ATP4AATP4BDPP4FOLH1
SCHEMBL27085525 0.78 CYP19A1 (0.42) CYP19A1ATP4AATP4BDPP4FOLH1
SCHEMBL628307 0.78 TBXAS1 (0.42) CYP19A1DPP4SLC9A1
SCHEMBL3117590 0.78 CYP19A1 (0.38) CYP19A1ATP4AATP4BDPP4SLC6A2
SCHEMBL27913531 0.78 CYP19A1 (0.38) CYP19A1ATP4AATP4BDPP4SLC6A2
SCHEMBL7039485 0.78 CYP19A1 (0.38) CYP19A1ATP4AATP4BDPP4FOLH1
SCHEMBL11361006 0.78 CYP19A1 (0.48) CYP19A1DPP4FOLH1

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
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
US-6355659-B1 TREATING PSYCHOSIS AND DEMENTIA BY ADMINISTERING LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-03-12 US disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 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-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS CYP19A1 2675/4885ATP4A 1716/4885ATP4B 1491/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 CYP19A1 3218/4885ATP4A 1509/4885ATP4B 1267/4885

“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.