SCHEMBL3579818

SCHEMBL3579818

Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
DDR1 Q08345 1/20 0.35
PPARG P37231 2/20 0.34
RECQL P46063 1/20 0.34
CNR2 P34972 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CCR2 P41597 2/20 0.33
EGFR P00533 1/20 0.33
CCR1 P32246 1/20 0.33
CCR4 P51679 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDH1 O75874 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 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
SCHEMBL3589851 0.91 CRHBP (0.39) CRHBPCRHR2NPSR1HPGDL3MBTL1
SCHEMBL3587819 0.89 CRHBP (0.37) CRHBPCRHR2NPSR1HPGDL3MBTL1
SCHEMBL3576472 0.88 NPSR1 (0.43) LMNACRHBPCRHR2NPSR1HPGD
SCHEMBL3579793 0.85 CRHBP (0.40) CRHBPCRHR2NPSR1HPGDL3MBTL1
SCHEMBL3585551 0.85 KDM4E (0.43) NPSR1MEN1KMT2A
SCHEMBL3577635 0.84 CRHBP (0.40) CRHBPCRHR2NPSR1HPGDL3MBTL1
SCHEMBL3582557 0.84 MEN1 (0.41) LMNAPTGDR2MEN1KMT2ACYP1A2
SCHEMBL3586731 0.82 HTR6 (0.37) HPGDPTGDR2
SCHEMBL3581876 0.81 NR1H2 (0.41) CRHBPCRHR2NPSR1HPGDL3MBTL1
SCHEMBL3585374 0.81 NR3C1 (0.38) LMNACRHBPCRHR2NPSR1HPGD

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 LMNA 3075/4885CRHBP 4368/4885CRHR2 4476/4885

“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.