SCHEMBL6775688

SCHEMBL6775688

COC(=O)c1ccc(I)cc1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 1/20 0.49
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK10 P53779 3/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ALOX12 P18054 1/20 0.41

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
SCHEMBL10010690 0.84 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL18302008 0.83 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL628811 0.81 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL6776215 0.80 SLC6A2 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
Bicarbonate SCHEMBL27467972 0.80 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL17231185 0.79 KDM4E (0.56) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL6775138 0.79 ALOX5 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL6777619 0.78 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL16384835 0.78 MAPT (0.56) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL15009046 0.78 KDM4E (0.50) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E

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 2 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
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US 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 3320/4885SLC6A2 2136/4885

“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.