SCHEMBL6776797

SCHEMBL6776797

O=C(O)c1ccc(COc2cccnc2)cc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KDM4C Q9H3R0 2/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6771583 0.89 FNTA (0.49) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL6776545 0.83 FNTA (0.52) CYP4F2CYP4A11NOS1NOS2MAPT
SCHEMBL6771653 0.79 FNTA (0.66) FNTAFNTB
SCHEMBL6776010 0.78 FNTA (0.75) FNTAFNTB
SCHEMBL6776007 0.78 FNTA (0.75) FNTAFNTB
SCHEMBL7539917 0.77 RAB9A (0.60) NOS1NOS2MAPTRAB9ANPSR1
SCHEMBL6771761 0.77 FNTA (0.49) CYP4F2CYP4A11NOS1NOS2FNTA
SCHEMBL6776554 0.77 FNTA (0.66) FNTAFNTB
SCHEMBL6776560 0.77 FNTA (0.66) FNTAFNTB
SCHEMBL6204996 0.77 NR4A2 (0.65) MAPTRAB9ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 CYP4F2 580/4885CYP4A11 1382/4885NOS1 3362/4885

“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.