SCHEMBL14729653

SCHEMBL14729653

FC(F)(F)Oc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
DYRK1A Q13627 3/20 0.43
XDH P47989 1/20 0.43
GRM5 P41594 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP28 Q96RU2 1/20 0.39

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
SCHEMBL14729755 0.88 MEN1 (0.46) XDHMRGPRX4KDM4EMEN1ALDH1A1
SCHEMBL14729702 0.86 PDE4B (0.46) MRGPRX4KDM4EMEN1ALDH1A1LMNA
SCHEMBL14729714 0.83 PTPN1 (0.50) MRGPRX4SLC6A4RXRARXRBRXRG
SCHEMBL18467389 0.82 MAOB (0.44) MRGPRX4SLC6A4RXRA
SCHEMBL14729707 0.82 SQOR (0.51) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL14729690 0.81 EGFR (0.45) LMNAMAPTFFAR1
SCHEMBL14718540 0.79 GRM5 (0.48) GRM5MRGPRX4SLC6A4USP28USP25
SCHEMBL14729657 0.79 PTGER1 (0.46) KDM4EHPGD
SCHEMBL14729731 0.78 MRGPRX4 (0.41) MRGPRX4ALDH1A1LMNAMAPTHPGD
SCHEMBL14729696 0.76 MAOB (0.43) MEN1ALDH1A1LMNAGAAKMT2A

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 ATR 4445/4885DYRK1A 3337/4885XDH 894/4885

“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.