SCHEMBL6097529

SCHEMBL6097529

CC(C)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.63
KDM4E B2RXH2 5/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 5/20 0.59
HTT P42858 1/20 0.59
ITGA4 P13612 2/20 0.58
ITGB7 P26010 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
MT-CO2 P00403 1/20 0.53
CFD P00746 1/20 0.52
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51

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
SCHEMBL6098448 0.85 KDM4E (0.67) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL18181886 0.81 KDM4E (0.70) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL17109718 0.81 KDM4E (0.64) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5065942 0.81 MAPK10 (0.53) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5866871 0.79 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL12767905 0.78 POLB (0.56) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13932577 0.78 KDM4E (0.65) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL18177841 0.78 KMT2A (0.65) MMP8KDM4EKMT2AMEN1ALDH1A1
SCHEMBL17109722 0.76 ALDH1A1 (0.66) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL17429386 0.76 POLB (0.54) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053216-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030171387-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043961-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 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 (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-20030171387-A1 Modulators of Rho C activity RHOC, ROCK1, CIT MMP8 635/4885KDM4E 3027/4885KMT2A 3564/4885

“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.