SCHEMBL3579134

SCHEMBL3579134

Cc1c(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
BRD4 O60885 1/20 0.33
BRD3 Q15059 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL3576472 0.91 NPSR1 (0.43) MEN1KMT2ACRHBPCRHR2NPSR1
SCHEMBL3581876 0.89 NR1H2 (0.41) MEN1KMT2ACRHBPCRHR2PTGDR2
SCHEMBL3586897 0.89 KMT2A (0.42) MEN1KMT2AALDH1A1HTTHSP90AA1
SCHEMBL3590793 0.85 NAMPT (0.37) MEN1KMT2APTGDR2HSP90AA1TUBB4A
SCHEMBL3589851 0.84 CRHBP (0.39) MEN1KMT2ACRHBPCRHR2PTGDR2
SCHEMBL3582344 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1HSP90AA1TUBB4A
SCHEMBL3585374 0.84 NR3C1 (0.38) MEN1KMT2ACRHBPCRHR2PTGDR2
SCHEMBL3575169 0.83 NPSR1 (0.44) MEN1KMT2ACRHBPCRHR2NPSR1
SCHEMBL3586585 0.83 HPGD (0.36) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL3582557 0.83 MEN1 (0.41) MEN1KMT2APTGDR2HSP90AA1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E MEN1 4584/4885KMT2A 1816/4885CRHBP 4368/4885

“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.