SCHEMBL3967559

SCHEMBL3967559

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)cnc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAP4K4 O95819 1/20 0.45
AR P10275 4/20 0.44
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGAT1 O75907 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
XDH P47989 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
COMT P21964 1/20 0.38

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
SCHEMBL4766176 0.80 CYP11B1 (0.42) CYP11B1CYP11B2ARALDH1A1ALOX5AP
SCHEMBL27241759 0.79 ALDH1A1 (0.65) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL25376159 0.79 SCN9A (0.35) ARALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL20577700 0.78 KIF11 (0.45) KIF11CYP11B1CYP11B2ARALDH1A1
SCHEMBL29615293 0.78 KIF11 (0.45) KIF11CYP11B1CYP11B2ARALDH1A1
SCHEMBL25378635 0.78 ALDH1A1 (0.40) KIF11CYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL25377695 0.77 PDE10A (0.40) FEN1
SCHEMBL11468663 0.75 KIF11 (0.59) KIF11MAP4K4CA12CA9ALOX5AP
SCHEMBL3975183 0.73 MAP4K4 (0.58) KIF11MAP4K4ALDH1A1CA12CA9
SCHEMBL6256028 0.72 DGAT1 (0.63) KIF11DGAT1CA12CA9

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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885CYP11B1 2460/4885CYP11B2 1790/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885CYP11B1 2460/4885CYP11B2 1790/4885

“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.