SCHEMBL10097526

SCHEMBL10097526

COCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 2/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
HTR3A P46098 2/20 0.34
PDGFRB P09619 5/20 0.34
RET P07949 2/20 0.34
NR1I3 Q14994 1/20 0.34
MMP13 P45452 1/20 0.34
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL10097555 0.97 NPC1 (0.40) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13053215 0.95 SMN1; SMN2 (0.34) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097600 0.95 SMN1; SMN2 (0.34) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL14466312 0.93 NPC1 (0.38) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097507 0.92 NPC1 (0.36) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13052768 0.92 SMN1; SMN2 (0.36) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL12950234 0.92 NPC1 (0.37) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13051956 0.92 NPC1 (0.35) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097602 0.92 NPC1 (0.35) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097368 0.92 RAB9A (0.39) NPC1CYP1A2CYP2D6CYP2C9HPGD

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
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885CYP1A2 3179/4885CYP2D6 4186/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP NPC1 514/4885CYP1A2 3228/4885CYP2D6 4161/4885

“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.