SCHEMBL3058508

SCHEMBL3058508

Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc2c(c1)CN(CCCO)C2=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.56
HDAC6 Q9UBN7 1/20 0.49
MAPK11 Q15759 3/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3051322 0.95 MAPK14 (0.57) MAPK14HDAC6MAPK11KCNH2HRH3
SCHEMBL3054889 0.89 MAPK14 (0.59) MAPK14HDAC6MAPK11CYP3A4
SCHEMBL4514200 0.84 MAPK14 (0.61) MAPK14MAPK11KCNH2HRH3
SCHEMBL3048771 0.81 HDAC6 (0.50) MAPK14HDAC6ALDH1A1
SCHEMBL3054080 0.81 MAPK14 (0.58) MAPK14MAPK11ALDH1A1TSHR
SCHEMBL3053804 0.80 HDAC6 (0.49) MAPK14HDAC6CYP3A4
SCHEMBL3063360 0.80 MAPK14 (0.57) MAPK14MAPK11
SCHEMBL4502790 0.79 MAPK14 (0.59) MAPK14MAPK11KCNH2HRH3
SCHEMBL3048385 0.74 MAPK14 (0.65) MAPK14MAPK11
SCHEMBL3050591 0.73 MAPK14 (0.68) MAPK14MAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US claimed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 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 (1 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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 MAPK14 21/4885HDAC6 267/4885MAPK11 38/4885

“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.