SCHEMBL3575304

SCHEMBL3575304

Cc1c(C(=O)N(C)Cc2cc3cccnc3cc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
SCN9A Q15858 1/20 0.31
NAMPT P43490 2/20 0.31
TACR1 P25103 1/20 0.30
CASP6 P55212 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MET P08581 1/20 0.30
PIK3CA P42336 1/20 0.30
RECQL P46063 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL3590814 0.96 PTGDR2 (0.32) KDM4EALDH1A1PTGDR2TACR1
SCHEMBL3586065 0.92 KDM4E (0.35) KDM4EALDH1A1CASP6MEN1KMT2A
SCHEMBL3585272 0.92 EDNRB (0.34) KDM4EALDH1A1PTGDR2TACR1CASP6
SCHEMBL3586104 0.91 KDM4E (0.35) KDM4EALDH1A1NAMPTCASP6MEN1
SCHEMBL3586923 0.86 TACR1 (0.32) PTGDR2TACR1
SCHEMBL3584400 0.85 SPR (0.38) ALDH1A1SCN9ANAMPTRECQL
SCHEMBL3585616 0.82 TACR1 (0.32) PTGDR2TACR1
SCHEMBL3583691 0.81 NAMPT (0.33) KDM4EALDH1A1NAMPTCASP6MEN1
SCHEMBL3590929 0.80 SPR (0.40) ALDH1A1NAMPTTACR1RECQL
SCHEMBL3580259 0.80 MEN1 (0.39) ALDH1A1PTGDR2TACR1MEN1KMT2A

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 KDM4E 1442/4885ALDH1A1 2016/4885PTGDR2 3924/4885

“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.