SCHEMBL5047573

SCHEMBL5047573

O=C(NO)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
PSMD14 O00487 2/20 0.70
POLB P06746 2/20 0.70
MAPT P10636 2/20 0.70
CACNA1B Q00975 2/20 0.70
APBA1 Q02410 2/20 0.70
FGB P02675 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
PLEC Q15149 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
GPR55 Q9Y2T6 1/20 0.67
HDAC8 Q9BY41 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC3 O15379 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
UQCRB P14927 2/20 0.66
HDAC1 Q13547 3/20 0.64
HDAC2 Q92769 3/20 0.64

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
SCHEMBL5943960 0.95 MEN1 (0.66) MEN1KMT2APSMD14POLBMAPT
SCHEMBL15480538 0.91 MEN1 (0.71) MEN1KMT2AHDAC8HDAC6HDAC3
SCHEMBL10093054 0.87 GPR55 (0.69) MEN1KMT2APSMD14POLBMAPT
SCHEMBL5048564 0.86 UQCRB (0.71) MEN1KMT2APSMD14POLBMAPT
SCHEMBL15482013 0.86 HDAC8 (0.71) MEN1KMT2APOLBMAPTHDAC8
SCHEMBL5943909 0.86 HDAC8 (0.65) MEN1KMT2APSMD14POLBMAPT
SCHEMBL15480542 0.82 HDAC3 (0.69) MEN1KMT2APOLBMAPTCYP2C9
SCHEMBL15480530 0.82 HDAC6 (0.74) MEN1KMT2AMAPTHDAC8HDAC6
SCHEMBL15480558 0.82 HDAC8 (0.74) MEN1KMT2AMAPTCYP2C9NPSR1
SCHEMBL15480539 0.82 HDAC3 (0.74) MEN1KMT2APOLBMAPTHDAC8

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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 MEN1 1848/4885KMT2A 36/4885PSMD14 2685/4885

“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.