SCHEMBL3579882

SCHEMBL3579882

Cc1c(C(=O)N(C)Cc2ccccc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HSP90AA1 P07900 1/20 0.35
TACR1 P25103 1/20 0.34
ALOX12 P18054 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM5 P08912 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
HTT P42858 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
SCHEMBL3586897 0.89 KMT2A (0.42) KMT2AMEN1HSP90AA1TACR1PKM
SCHEMBL3582557 0.88 MEN1 (0.41) KMT2AMEN1HSP90AA1TACR1LMNA
SCHEMBL3586121 0.88 MEN1 (0.44) KMT2AMEN1HSP90AA1TACR1GAA
SCHEMBL3584470 0.88 MEN1 (0.42) KMT2AMEN1HSP90AA1TACR1PKM
SCHEMBL3587000 0.86 MEN1 (0.40) KMT2AMEN1HSP90AA1TACR1
SCHEMBL3578354 0.84 MEN1 (0.43) KMT2AMEN1HSP90AA1TACR1
SCHEMBL3580259 0.84 MEN1 (0.39) KMT2AMEN1HSP90AA1TACR1
SCHEMBL3582344 0.82 MEN1 (0.45) KMT2AMEN1HSP90AA1GAALMNA
SCHEMBL3579134 0.82 MEN1 (0.36) KMT2AMEN1HSP90AA1PKMLMNA
SCHEMBL3576472 0.81 NPSR1 (0.43) KMT2AMEN1GAALMNAHTT

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 9 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
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 KMT2A 1816/4885MEN1 4584/4885HSP90AA1 3132/4885

“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.