SCHEMBL3581876

SCHEMBL3581876

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.38
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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) HTTKMT2AMEN1HPGDNPSR1
SCHEMBL3579134 0.89 MEN1 (0.36) NR1H2NR1H3HTTPTGDR2KMT2A
SCHEMBL3586897 0.89 KMT2A (0.42) HTTKMT2AMEN1
SCHEMBL3587819 0.89 CRHBP (0.37) NR1H2NR1H3HAO1PTGDR2HPGD
SCHEMBL3587000 0.88 MEN1 (0.40) KMT2AMEN1HPGD
SCHEMBL3585374 0.87 NR3C1 (0.38) ATMHAO1PTGDR2KMT2AMEN1
SCHEMBL3590793 0.85 NAMPT (0.37) PTGDR2KMT2AMEN1
SCHEMBL3592623 0.85 MEN1 (0.43) ATMSMN1; SMN2KMT2AMEN1
SCHEMBL3589851 0.84 CRHBP (0.39) HTTPTGDR2KMT2AMEN1HPGD
SCHEMBL3582344 0.84 MEN1 (0.45) SMN1; SMN2KMT2AMEN1SLC6A2SLC6A4

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 7 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
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO 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 NR1H2 1099/4885NR1H3 1307/4885ATM 2570/4885

“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.