SCHEMBL13701643

SCHEMBL13701643

CC(C)(C)NC(=O)c1cccc(-c2cncnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.54
ABL1 P00519 4/20 0.54
LMNA P02545 3/20 0.45
DYRK1A Q13627 1/20 0.44
KMO O15229 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NEK1 Q96PY6 1/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
MAP4K4 O95819 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL13611934 0.87 KMO (0.61) DYRK1AKMONEK1KMT2A
SCHEMBL13743373 0.85 CYP2C19 (0.46) ABL1LMNADYRK1AKMOHDAC8
SCHEMBL13611932 0.84 AURKA (0.53) LMNAHDAC8
SCHEMBL13701655 0.83 ABL1 (0.50) KAT6AABL1CYP2C19
SCHEMBL13701695 0.83 HDAC8 (0.64) KAT6ALMNAKMOHDAC8
SCHEMBL13701654 0.81 RXRA (0.59) LMNAKMOHDAC8CYP2C19KMT2A
SCHEMBL13701631 0.81 HDAC8 (0.54) LMNAHDAC8CYP2C19KMT2A
SCHEMBL13485770 0.81 HDAC8 (0.67) KAT6AABL1KMOHDAC8CNR1
SCHEMBL17773164 0.80 ABL1 (0.48) KAT6AABL1KMONEK1CTSL
SCHEMBL13701672 0.80 PLAU (0.48) LMNAHDAC8CYP2C19

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX KAT6A 3567/4885ABL1 4720/4885LMNA 1843/4885

“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.