SCHEMBL14729690

SCHEMBL14729690

Fc1cccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
C5AR1 P21730 1/20 0.44
MAOB P27338 1/20 0.43
PTGER1 P34995 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
KMO O15229 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
DHODH Q02127 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDE5A O76074 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
SCHEMBL14729707 0.87 SQOR (0.51) PTGER1L3MBTL1LMNASQORMAPK14
SCHEMBL14729677 0.86 SMN1; SMN2 (0.45) EGFRERBB2MAOBPTGER1L3MBTL1
SCHEMBL19597769 0.85 EGFR (0.36) EGFRERBB2C5AR1MAOBPTGER1
SCHEMBL14729696 0.84 MAOB (0.43) MAOBPTGER1LMNASQORKMO
SCHEMBL14729657 0.84 PTGER1 (0.46) MAOBPTGER1
SCHEMBL14729714 0.83 PTPN1 (0.50) MAOBKMOGPR34
SCHEMBL14729659 0.83 KMO (0.42) PTGER1L3MBTL1LMNAKMOMAPT
SCHEMBL14729731 0.83 MRGPRX4 (0.41) EGFRERBB2PTGER1L3MBTL1LMNA
SCHEMBL17005532 0.83 EGFR (0.47) EGFRERBB2C5AR1PTGER1L3MBTL1
SCHEMBL14729653 0.81 ATR (0.43) LMNAMAPTFFAR1

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 EGFR 1460/4885ERBB2 2419/4885C5AR1 172/4885

“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.