SCHEMBL14729657

SCHEMBL14729657

Clc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.46
CYP2C9 P11712 3/20 0.46
DHFR P00374 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
BACE1 P56817 1/20 0.43
ENPP2 Q13822 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
PIM1 P11309 1/20 0.42
PPIA P62937 2/20 0.42

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 0.87 SQOR (0.51) PTGER1
SCHEMBL14729734 0.86 CNR1 (0.47) PTGER1
SCHEMBL14729690 0.84 EGFR (0.45) PTGER1MAOB
SCHEMBL14719215 0.81 KDM4E (0.47) PTGER1DHFRKDM4EHPGDENPP2
SCHEMBL14729696 0.81 MAOB (0.43) PTGER1MAOB
SCHEMBL14729714 0.81 PTPN1 (0.50) MAOBPPIA
SCHEMBL14729731 0.81 MRGPRX4 (0.41) PTGER1HPGD
SCHEMBL14729653 0.79 ATR (0.43) KDM4EHPGD
SCHEMBL14729702 0.79 PDE4B (0.46) PTGER1KDM4EHPGD
SCHEMBL14974067 0.79 SQOR (0.49) BACE1

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
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 US disclosed
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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 (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 PTGER1 149/4885CYP2C9 21/4885DHFR 897/4885

“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.