SCHEMBL371031

SCHEMBL371031

CC(=O)CNc1cccc(CNN(C)C(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.40
MEF2D Q14814 8/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR1 O14842 2/20 0.39
NOS1 P29475 2/20 0.38
NOS2 P35228 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
GRK2 P25098 1/20 0.36

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
SCHEMBL19119342 0.76 LOXL2 (0.49) NOS1NOS2CA12CA1CA2
SCHEMBL371033 0.75 ROCK1 (0.43) HDAC6
SCHEMBL27480162 0.75 AKR1C3 (0.43) HDAC4MEF2DHDAC8HDAC6FFAR1
SCHEMBL27470277 0.69 MEN1 (0.45)
SCHEMBL9014365 0.68 HDAC4 (0.53) HDAC4MEF2DCA12CA1CA2
SCHEMBL7175504 0.68 PKM (0.54)
SCHEMBL8347749 0.66 HDAC4 (0.47) HDAC4MEF2DHDAC8HDAC6
SCHEMBL27470041 0.65 RIPK1 (0.39) CA1CA2CA9
SCHEMBL5289171 0.65 HPGD (0.54) HDAC4MEF2DHDAC8HDAC6CA12
SCHEMBL27470137 0.65 KDM4E (0.47)

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA HDAC4 81/4885MEF2D 3939/4885HDAC8 56/4885

“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.