SCHEMBL6776121

SCHEMBL6776121

COC(=O)c1ccc(C(O)c2ccncc2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.47
ALDH1A1 P00352 3/20 0.44
IKBKB O14920 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA3 P34903 2/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 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
SCHEMBL6772534 0.80 CYP46A1 (0.40) CYP46A1ALDH1A1IKBKBGABRA1GABRG2
SCHEMBL20173749 0.80 SLC6A3 (0.49) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL24579589 0.79 SLC6A3 (0.49) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL6777426 0.76 MAPK1 (0.44) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL6777178 0.76 CFTR (0.46) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL7607808 0.75 FNTA (0.56) TDP1
SCHEMBL7607803 0.75 FNTA (0.56) TDP1
SCHEMBL6784107 0.74 FNTA (0.55) TDP1
SCHEMBL6784096 0.74 FNTA (0.55) TDP1
SCHEMBL20173748 0.74 NR4A2 (0.51) ALDH1A1GABRA1GABRG2GABRB3GABRA3

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 CYP46A1 487/4885ALDH1A1 1121/4885IKBKB 3083/4885

“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.