SCHEMBL889069

SCHEMBL889069

CC(C)CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.63
HPGD P15428 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
OGG1 O15527 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
ALOX12 P18054 2/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL17865783 0.90 MLYCD (0.73) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL21590324 0.87 ALDH1A1 (0.56) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL21590151 0.87 ALDH1A1 (0.56) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL28501877 0.87 ALDH1A1 (0.56) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL8233063 0.85 POLB (0.53) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL162726 0.83 MLYCD (0.65) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL178516 0.83 MLYCD (0.65) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL3036729 0.82 MLYCD (0.59) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL18193848 0.82 NPC1 (0.67) HPGDKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL23665801 0.81 MLYCD (0.63) MLYCDHPGDNPSR1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (2 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885HPGD 1773/4885NPSR1 2817/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MLYCD 2777/4885HPGD 1773/4885NPSR1 2817/4885

“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.