SCHEMBL4934362

SCHEMBL4934362

COC(=O)C=Cc1ccc(CNCc2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TBXAS1 P24557 2/20 0.54
POLB P06746 4/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
HDAC3 O15379 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL4934358 1.00 THRB (0.61) THRBALDH1A1NPSR1TBXAS1POLB
SCHEMBL11062417 0.87 TBXAS1 (0.71) THRBALDH1A1TBXAS1POLBKDM4E
SCHEMBL11062411 0.87 TBXAS1 (0.71) THRBALDH1A1TBXAS1POLBKDM4E
SCHEMBL3928106 0.84 HDAC1 (0.64) THRBALDH1A1POLBKDM4EHPGD
SCHEMBL3928110 0.84 HDAC1 (0.64) THRBALDH1A1POLBKDM4EHPGD
SCHEMBL2184878 0.81 KDM4E (0.67) POLBCYP1A2CYP2D6TDP1KDM4E
SCHEMBL16585159 0.81 KDM4E (0.67) POLBCYP1A2CYP2D6TDP1KDM4E
SCHEMBL2184876 0.81 KDM4E (0.67) POLBCYP1A2CYP2D6TDP1KDM4E
SCHEMBL15341319 0.79 CA12 (0.55) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL4933047 0.78 ALDH1A1 (0.66) ALDH1A1NPSR1POLBCYP1A2CYP2D6

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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 THRB 3473/4885ALDH1A1 1020/4885NPSR1 3988/4885

“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.