SCHEMBL14729656

SCHEMBL14729656

FC(F)(F)c1ccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
SYK P43405 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
ALOX5AP P20292 1/20 0.38
IKBKB O14920 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
S1PR1 P21453 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL14729707 0.80 SQOR (0.51) IKBKBMAPK14MEN1NPC1POLB
SCHEMBL14729679 0.80 CYP11B1 (0.44) MRGPRX4RXRARXRBRXRGPTPN2
SCHEMBL14729677 0.79 SMN1; SMN2 (0.45) MAPK14MEN1NPC1POLBRAB9A
SCHEMBL14718975 0.79 MRGPRX4 (0.39) MRGPRX4RXRARXRBRXRGSLC6A9
SCHEMBL14729755 0.79 MEN1 (0.46) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL14729714 0.79 PTPN1 (0.50) MRGPRX4RXRARXRBRXRGPTPN2
SCHEMBL14729736 0.79 ALOX5AP (0.44) MRGPRX4RXRARXRBRXRGPTPN2
SCHEMBL14729696 0.77 MAOB (0.43) ALOX5APMEN1NPC1POLBRAB9A
SCHEMBL14729690 0.77 EGFR (0.45) MAP4K4PTGS1PTGS2MAPK14
SCHEMBL14729734 0.77 CNR1 (0.47) MEN1NPC1POLBRAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 MRGPRX4 97/4885SYK 3666/4885RXRA 438/4885

“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.