SCHEMBL10165461

SCHEMBL10165461

CC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.46
MMP13 P45452 3/20 0.44
DGAT1 O75907 1/20 0.44
WDR5 P61964 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RPS6KA1 Q15418 1/20 0.41
CNR2 P34972 1/20 0.41
PPARG P37231 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 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
SCHEMBL10165685 0.92 MAPK1 (0.46) MAPK1MMP13DGAT1HDAC3HDAC1
SCHEMBL10162467 0.91 MAPK1 (0.43) MAPK1MMP13DGAT1WDR5HDAC3
SCHEMBL8252814 0.91 DGAT1 (0.46) MAPK1MMP13DGAT1WDR5HDAC3
SCHEMBL10165651 0.91 MMP13 (0.46) MAPK1MMP13PPARG
SCHEMBL8191109 0.90 MAPK1 (0.45) MAPK1MMP13DGAT1WDR5HDAC3
SCHEMBL10162430 0.89 MMP13 (0.45) MAPK1MMP13DGAT1WDR5PPARG
SCHEMBL10165643 0.89 MMP13 (0.58) MMP13WDR5PPARG
SCHEMBL10162345 0.87 MAPK1 (0.43) MAPK1MMP13DGAT1
SCHEMBL10164579 0.87 MAPK1 (0.45) MAPK1MMP13DGAT1HDAC3HDAC1
SCHEMBL8256459 0.87 MAPK1 (0.44) MAPK1MMP13DGAT1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPK1 2860/4885MMP13 1/4885DGAT1 3390/4885

“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.