SCHEMBL3975183

SCHEMBL3975183

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cnc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.58
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 1/20 0.47
KDM1A O60341 1/20 0.45
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
KIF11 P52732 1/20 0.44
CYP2C8 P10632 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
SRD5A2 P31213 1/20 0.44
PTPN11 Q06124 1/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43

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
SCHEMBL11817492 0.80 ACMSD (0.55) MAP4K4KDM4E
SCHEMBL30989868 0.80 SORT1 (0.48) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL14931856 0.80 MAP4K4 (0.50) MAP4K4RXRARXRBKDM1AKDM4E
SCHEMBL330660 0.78 ACMSD (0.66) RXRARXRBSLC6A2P2RY14KIF11
SCHEMBL2555138 0.77 ALDH1A1 (0.46) MAP4K4ALDH1A1
SCHEMBL2559151 0.77 HSD17B1 (0.49) MAP4K4RXRARXRBMAPT
SCHEMBL11012950 0.76 MCL1 (0.49) MAP4K4CSF1R
SCHEMBL7822583 0.76 MAPK1 (0.46) MAP4K4RXRARXRBRXRGKDM1A
SCHEMBL17688798 0.75 MAP4K4 (0.53) MAP4K4RXRARXRBRXRGKIF11
SCHEMBL29106075 0.75 HDAC1 (0.58) MAP4K4KDM1ASLC6A2P2RY14CYP2C8

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 MAP4K4 1360/4885RXRA 863/4885RXRB 757/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 MAP4K4 1360/4885RXRA 863/4885RXRB 757/4885

“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.