SCHEMBL6450508

SCHEMBL6450508

COc1ccc(O)c(C(=O)NNC(=O)c2cccs2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 4/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
KDM4E B2RXH2 1/20 0.59
KCNH2 Q12809 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6451275 0.77 MEN1 (0.71) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6469344 0.75 HSP90AA1 (0.79) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4393569 0.75 SYK (0.52) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL1858111 0.74 RAB9A (0.78) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6470290 0.74 RAB9A (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL17414607 0.74 P2RX1 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL1436731 0.74 P2RX1 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11324398 0.73 NPC1 (0.72) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11236875 0.73 HPGD (0.77) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL8044717 0.73 ALDH1A1 (1.00) RAB9ANPC1KMT2AMEN1MAPT

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885NPC1 59/4885KMT2A 3600/4885

“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.