SCHEMBL18763307

SCHEMBL18763307

CCn1c(=O)n(CCC2CCCCC2)c(=O)c2cc(NC(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.47
▸ PARG Q86W56 1/20 0.45
▸ NPY5R Q15761 4/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL17335873 0.86 PARG (0.47) RORCPARGKMT2AHPGDMAPT
SCHEMBL17335990 0.81 SMN1; SMN2 (0.50) PARGKMT2AKDM4EALDH1A1HPGD
SCHEMBL17335989 0.79 PARG (0.41) RORCPARGRXFP1KMT2AKDM4E
SCHEMBL19322789 0.78 RORC (0.56) RORCPARGRXFP1KDM4EALDH1A1
SCHEMBL14927474 0.76 RORA (0.45) RORCPARGKMT2A
SCHEMBL10084682 0.72 PARG (0.44) RORCPARGKDM4EALDH1A1HPGD
SCHEMBL17434122 0.70 RORC (0.52) RORCNPY5RKMT2AKDM4EALDH1A1
SCHEMBL17434295 0.70 RORC (0.61) RORCNPY5RKMT2AKDM4EALDH1A1
SCHEMBL17433946 0.70 RORC (0.51) RORCPARGNPY5RKMT2AKDM4E
SCHEMBL17433948 0.70 RORC (0.51) RORCPARGNPY5RKMT2AKDM4E

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 1 patent. 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

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 RORC 232/4885PARG 4791/4885NPY5R 582/4885

“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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