SCHEMBL17347874

SCHEMBL17347874

CC(=O)Nc1ccc2[nH]c(=O)n([C@H](C)C3CCCCC3)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 2/20 0.58
▸ FEN1 P39748 2/20 0.58
▸ ERCC4 Q92889 2/20 0.58
▸ DNASE1 P24855 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ TERT O14746 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ HTR1A P08908 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
SCHEMBL18763296 1.00 ERCC1 (0.58) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL18792956 0.81 ERCC1 (0.51) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17335956 0.80 GCK (0.52) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17335974 0.80 ERCC1 (0.62) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17347878 0.77 ERCC1 (0.59) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL18792867 0.77 ERCC1 (0.58) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17335950 0.77 ERCC1 (0.58) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17335972 0.77 ERCC1 (0.58) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17335973 0.77 ERCC1 (0.58) ERCC1FEN1ERCC4DNASE1KDM4E
SCHEMBL17347739 0.75 ERCC1 (0.59) ERCC1FEN1ERCC4DNASE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 ERCC1 2255/4885FEN1 4772/4885ERCC4 2078/4885

“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.

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