SCHEMBL6777178

SCHEMBL6777178

COC(=O)c1ccc(C(N)c2cccnc2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
NR4A2 P43354 3/20 0.44
MAPK1 P28482 1/20 0.44
SLC2A1 P11166 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP19A1 P11511 1/20 0.40
KCNA5 P22460 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL6777426 0.86 MAPK1 (0.44) CFTRNR4A2MAPK1SLC2A1GABRA1
SCHEMBL20173748 0.81 NR4A2 (0.51) CFTRNR4A2MAPK1SLC2A1GABRA1
SCHEMBL3515844 0.78 NR4A2 (0.57) CFTRNR4A2MAPK1SLC2A1GABRA1
SCHEMBL6774479 0.77 FNTA (0.58)
SCHEMBL6771440 0.77 FNTA (0.41) KCNA5
SCHEMBL6776121 0.76 CYP46A1 (0.47) MAPK1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20173749 0.76 SLC6A3 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL24579589 0.75 SLC6A3 (0.49) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6775596 0.74 FNTA (0.49) CFTRNR4A2MAPK1SLC2A1GABRA1
SCHEMBL6775591 0.74 FNTA (0.49) CFTRNR4A2MAPK1SLC2A1GABRA1

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 CFTR 3119/4885NR4A2 2020/4885MAPK1 3092/4885

“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.