SCHEMBL8197476

SCHEMBL8197476

COC(=O)c1c[nH]c2c(C(=O)NCc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
MMP13 P45452 2/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR4A2 P43354 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
PPARG P37231 2/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.38
WDR5 P61964 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL8200475 0.89 HDAC3 (0.41) MAPK1MMP13ROCK2ROCK1HDAC3
SCHEMBL8174814 0.86 ADORA2A (0.44) LMNANR4A2CNR2
SCHEMBL8197453 0.85 MAPK1 (0.45) MAPK1MMP13HDAC3HDAC1HDAC2
SCHEMBL14073015 0.84 HDAC3 (0.44) MAPK1MMP13LMNAHDAC3HDAC1
SCHEMBL14073025 0.82 NPC1 (0.47) MAPK1HPGDCNR2WDR5
SCHEMBL8195262 0.81 HPGD (0.41) MAPK1MMP13LMNAHPGDHDAC3
SCHEMBL10164772 0.81 MMP13 (0.51) MAPK1MMP13LMNAHPGDHDAC3
SCHEMBL10168110 0.80 GRM4 (0.43) MAPK1MMP13ROCK2ROCK1HDAC3
SCHEMBL8171763 0.80 CNR2 (0.39) MAPK1MMP13HDAC3HDAC1HDAC2
SCHEMBL13863083 0.79 HDAC3 (0.41) MAPK1MMP13HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 MAPK1 2918/4885MMP13 1/4885ROCK2 2223/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 MAPK1 2865/4885MMP13 1/4885ROCK2 2163/4885

“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.