SCHEMBL862719

SCHEMBL862719

COC(=O)c1c(I)nn(C(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL26927078 0.77 KDM4E (0.46) KDM4EMAPK1ALDH1A1HPGDL3MBTL1
SCHEMBL840426 0.77 HPGD (0.39) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL14553216 0.73 KMT2A (0.54) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL10576114 0.70 HPGD (0.39) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL25139940 0.66 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10578368 0.66 HPGD (0.39) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8271720 0.66 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL24045338 0.65 PSMD14 (0.43) KDM4EMAPK1ALDH1A1HPGDL3MBTL1
SCHEMBL18704050 0.65 MAPT (0.48) KDM4EMAPK1ALDH1A1HPGDL3MBTL1
SCHEMBL9956756 0.65 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396329-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KDM4E 3736/4885MAPK1 3844/4885ALDH1A1 163/4885

“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.