SCHEMBL10097368

SCHEMBL10097368

CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACB O00763 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL13152677 0.98 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL13152003 0.96 RAB9A (0.41) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL12489610 0.95 MEN1 (0.38) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL10097435 0.95 MEN1 (0.38) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL14467126 0.95 MEN1 (0.39) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL14466312 0.94 NPC1 (0.38) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL13215084 0.94 NPC1 (0.39) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL13052768 0.94 SMN1; SMN2 (0.36) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL10097448 0.93 MEN1 (0.38) RAB9ANPC1HPGDCYP1A2CYP2D6
SCHEMBL10097404 0.93 MEN1 (0.38) RAB9ANPC1HPGDSMN1; SMN2CYP1A2

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP RAB9A 2969/4885NPC1 514/4885HPGD 1854/4885

“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.