SCHEMBL14587709

SCHEMBL14587709

COCCCCn1ccnn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP19A1 P11511 11/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
HTR4 Q13639 2/20 0.34
DPP4 P27487 1/20 0.32
FOLH1 Q04609 1/20 0.32
SRC P12931 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14587688 0.98 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP19A1ATP4A
SCHEMBL10192245 0.94 ATP4A (0.39) SLC6A2SLC6A4SLC6A3CYP19A1ATP4A
SCHEMBL12811511 0.86
SCHEMBL14578735 0.83 CYP19A1 (0.35) CYP19A1HTR4DPP4FOLH1ALDH1A1
SCHEMBL13201562 0.78 ATP4A (0.53) CYP19A1ATP4AATP4B
SCHEMBL628307 0.78 TBXAS1 (0.42) CYP19A1DPP4ALDH1A1
SCHEMBL7265318 0.77 CYP19A1 (0.38) CYP19A1FOLH1
SCHEMBL14189706 0.77 ATP4A (0.52) CYP19A1ATP4AATP4B
SCHEMBL20204363 0.76 TBXAS1 (0.46) CYP19A1
SCHEMBL11204798 0.76 TBXAS1 (0.46) CYP19A1

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-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US 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-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 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 (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-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS SLC6A2 1883/4885SLC6A4 2840/4885SLC6A3 2331/4885

“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.