SCHEMBL10097615

SCHEMBL10097615

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(N)c2ccc(OCCN3CCCCC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
HRH3 Q9Y5N1 7/20 0.41
KCNH2 Q12809 2/20 0.41
ESR1 P03372 8/20 0.41
ESR2 Q92731 2/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL10097317 0.93 LTA4H (0.48) LTA4HPDGFRBSRCESR1DRD2
SCHEMBL10097608 0.91 LTA4H (0.47) LTA4HADORA3MAOBBCHEACHE
SCHEMBL10249443 0.91 LTA4H (0.47) LTA4HPDGFRBSRCESR1ESR2
SCHEMBL10095655 0.87 LTA4H (0.53) LTA4HHRH3KCNH2ESR1ESR2
SCHEMBL10249405 0.85 NPC1 (0.42) LTA4HKCNH2NR3C1CHRM2HTR1A
SCHEMBL10249355 0.85 NPC1 (0.42) LTA4HKCNH2NR3C1CHRM2DRD3
SCHEMBL13152238 0.85 LMNA (0.46) NR3C1
SCHEMBL10097596 0.84 CACNA1F (0.43) LTA4HSRCKCNH2ESR1NR3C1
SCHEMBL13153392 0.83 LTA4H (0.38) LTA4HKCNH2NR3C1CHRM2HTR1A
SCHEMBL10252437 0.83 ALDH1A1 (0.43)

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS LTA4H 714/4885PDGFRB 3111/4885SRC 3529/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP LTA4H 1203/4885PDGFRB 750/4885SRC 2386/4885

“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.