SCHEMBL10097602

SCHEMBL10097602

COCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 4/20 0.34
RET P07949 1/20 0.33
BRD4 O60885 1/20 0.33
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
S1PR3 Q99500 1/20 0.33
MMP13 P45452 1/20 0.32
ACACB O00763 3/20 0.32
ATM Q13315 2/20 0.32
CHEK2 O96017 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL13051956 1.00 NPC1 (0.35) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13053215 0.97 SMN1; SMN2 (0.34) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097600 0.97 SMN1; SMN2 (0.34) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097555 0.95 NPC1 (0.40) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097526 0.92 NPC1 (0.39) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13214755 0.92 ALDH1A1 (0.36) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL13053220 0.89 NPC1 (0.35) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10097598 0.89 PDGFRB (0.36) NPC1PDGFRBS1PR3MCHR1
SCHEMBL10097728 0.89 PDGFRB (0.37) PDGFRBS1PR3MCHR1
SCHEMBL13052780 0.89 EPHX2 (0.35) 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 3 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

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.