SCHEMBL10097341

SCHEMBL10097341

COc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
SERPINE1 P05121 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45

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
SCHEMBL10097356 0.90 ALDH1A1 (0.53) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097329 0.90 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097343 0.90 PIM1 (0.50) MAPK13MAPK12MAPK11MAPK14SERPINE1
SCHEMBL10097344 0.84 MAOA (0.51) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097345 0.83 MAOA (0.50) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097312 0.81 MAOA (0.48) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097330 0.81 MAOA (0.48) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10097691 0.81 MTNR1A (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL5618530 0.80 MAPK1 (0.59) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL15058476 0.80 HTR1A (0.55) KDM4EALDH1A1HPGDKMT2AMEN1

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 MAPK13 4455/4885MAPK12 4026/4885MAPK11 4447/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPK13 3283/4885MAPK12 2714/4885MAPK11 3752/4885

“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.