SCHEMBL3043663

SCHEMBL3043663

O=C(Nc1ccc(CO)cc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 4/20 0.46
PYGL P06737 2/20 0.46
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
AURKA O14965 3/20 0.41
KDR P35968 3/20 0.41
CDK1 P06493 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL3041856 0.93 PYGL (0.47) NHERF1PYGLMAOBMAOAAURKA
SCHEMBL3043905 0.89 MAOB (0.45) NHERF1MAOBMAOAAURKAKDR
SCHEMBL3042431 0.89 KDR (0.45) NHERF1MAOBMAOAPLAUAURKA
SCHEMBL3052832 0.84 NHERF1 (0.47) NHERF1MAOBMAOAF2PLG
SCHEMBL3041519 0.84 HPGD (0.45) AURKAKDRCDK1KDM4EMAPT
SCHEMBL3033729 0.83 AURKA (0.46) MAOBMAOAPLGPLAUAURKA
SCHEMBL3042291 0.83 KDR (0.42) MAOBMAOAF2PLGPLAU
SCHEMBL3039016 0.82 KDR (0.44) AURKAKDRCDK1KDM4EMAPT
SCHEMBL3046947 0.81 AURKA (0.46) MAOBAURKAKDRCDK1MAPT
SCHEMBL27700273 0.81 NHERF1 (0.44) NHERF1PYGLMAOBMAOAF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NHERF1 670/4885PYGL 3223/4885MAOB 1445/4885

“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.