SCHEMBL6780722

SCHEMBL6780722

COC(=O)c1cc(-c2ccccc2C)c(C(=O)OC)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 3/20 0.42
NR4A2 P43354 1/20 0.42
SLC6A2 P23975 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
CFTR P13569 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MYC P01106 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
SCHEMBL6776274 0.93 MCL1 (0.43) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL6776244 0.85 NR4A2 (0.41) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL6782252 0.84 LMNA (0.39) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL628811 0.82 SLC6A3 (0.46) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL6775709 0.82 ALDH1A1 (0.51) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL9549 0.79 SLC6A3 (0.57) SLC6A3SLC6A4NR4A2SLC6A2LMNA
SCHEMBL14666358 0.78 CFTR (0.53) NR4A2LMNATSHRMAPTCFTR
SCHEMBL28250780 0.77 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL38659300 0.77 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL2267132 0.77 SLC6A3 (0.51) SLC6A3SLC6A4NR4A2SLC6A2LMNA

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 SLC6A3 2958/4885SLC6A4 3320/4885NR4A2 2020/4885

“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.