SCHEMBL10097263

SCHEMBL10097263

CCn1c(-c2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
GRIK2 Q13002 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIK1 P39086 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL10095453 0.88 GRIK2 (0.49) PGRARKDM4EALDH1A1GLA
SCHEMBL10097236 0.88 GRIK2 (0.51) KDM4EALDH1A1GRIK2TDP1HPGD
SCHEMBL10097285 0.86 GRIK2 (0.49) PGRARKDM4EALDH1A1GLA
SCHEMBL10097265 0.85 AR (0.39) ARKDM4EALDH1A1GAAKCNA5
SCHEMBL10097267 0.85 CYP11B2 (0.41) PGRKDM4EALDH1A1GLAGAA
SCHEMBL10095455 0.85 MAPK1 (0.38) KDM4EALDH1A1TDP1HPGDNPC1
SCHEMBL10250043 0.84 NPSR1 (0.44) KDM4EALDH1A1GAAGRIK2TDP1
SCHEMBL10097232 0.82 KCNA5 (0.48) KDM4EALDH1A1GRIK2TDP1HPGD
SCHEMBL10097243 0.81 GRIK2 (0.52) KDM4EALDH1A1GRIK2TDP1HPGD
SCHEMBL12109545 0.81 MAPT (0.40) ALDH1A1GAAGRIK2GRIK1MAPT

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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 (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 PGR 3811/4885AR 4848/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885AR 4702/4885KDM4E 4208/4885

“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.