SCHEMBL3579446

SCHEMBL3579446

Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
EPHX2 P34913 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FPR2 P25090 2/20 0.37
PROKR1 Q8TCW9 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3578837 0.99 CRHBP (0.54) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3589987 0.88 CRHBP (0.41) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3576472 0.84 NPSR1 (0.43) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3579793 0.83 CRHBP (0.40) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3577635 0.82 CRHBP (0.40) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3589851 0.81 CRHBP (0.39) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3587819 0.79 CRHBP (0.37) CRHBPCRHR2ALDH1A1PTGDR2NPSR1
SCHEMBL3579818 0.77 LMNA (0.37) CRHBPCRHR2LMNAPTGDR2NPSR1
SCHEMBL3575169 0.76 NPSR1 (0.44) CRHBPCRHR2HTTALDH1A1GAA
SCHEMBL3585374 0.75 NR3C1 (0.38) CRHBPCRHR2ALDH1A1GAALMNA

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 CRHBP 4368/4885CRHR2 4476/4885HTT 3769/4885

“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.