SCHEMBL3590552

SCHEMBL3590552

CCOC(=O)/C(=C/O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MLYCD O95822 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL12013112 1.00 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL3590555 1.00 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL838555 0.80 CA12 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL933904 0.80 ALDH1A1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL933903 0.80 ALDH1A1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL15084631 0.79 NPSR1 (0.55) ALDH1A1NPSR1MAPTKDM4E
SCHEMBL3102966 0.76 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5HPGD
SCHEMBL3102969 0.76 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5HPGD
SCHEMBL10276146 0.76 NPC1 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL27795045 0.75 POLB (0.43) KCNQ3KCNQ2KCNQ4KCNQ5MRGPRX4

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-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-8252817-B2 Dipyridyl-dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-28 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 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 (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-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES PPIP5K2, THPO, DPYD KCNQ3 3026/4885KCNQ2 3149/4885KCNQ4 2504/4885
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use DPP7, DPP4, QDPR KCNQ3 3393/4885KCNQ2 3647/4885KCNQ4 3232/4885

“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.