SCHEMBL5014497

SCHEMBL5014497

Cn1nnc2cc(CON)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
KEAP1 Q14145 3/20 0.44
SLC9A1 P19634 1/20 0.44
HPGD P15428 4/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 3/20 0.40
CTNNB1 P35222 1/20 0.39
AGXT P21549 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13026783 0.85 HCAR3 (0.47) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL904701 0.81 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL14074965 0.80 HCAR3 (0.43) HCAR3KEAP1SLC9A1HPGDKDM4E
Hydrochloric Acid SCHEMBL27205663 0.80 HCAR3 (0.49) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL10287998 0.80 HCAR3 (0.51) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL8238198 0.79 HCAR3 (0.46) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL478164 0.78 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL1939333 0.78 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL3330921 0.78 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL16406898 0.77 CTNNB1 (0.43) HCAR3KEAP1SLC9A1HPGDKDM4E

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 HCAR3 318/4885KEAP1 1869/4885SLC9A1 2920/4885

“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.