SCHEMBL3585272

SCHEMBL3585272

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR6 P50406 1/20 0.32
CASP6 P55212 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
RECQL P46063 1/20 0.31
TACR1 P25103 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PTGDR2 Q9Y5Y4 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 0.95 PTGDR2 (0.32) EDNRBKDM4EALDH1A1TACR1PTGDR2
SCHEMBL3586065 0.94 KDM4E (0.35) KDM4EALDH1A1CASP6MEN1KMT2A
SCHEMBL3586104 0.93 KDM4E (0.35) EDNRBKDM4EALDH1A1HTR6CASP6
SCHEMBL3575304 0.92 KDM4E (0.32) KDM4EALDH1A1CASP6MEN1KMT2A
SCHEMBL3590929 0.88 SPR (0.40) ALDH1A1RECQLTACR1
SCHEMBL3589562 0.85 HTR6 (0.35) EDNRBHTR6MEN1KMT2ATACR1
SCHEMBL3584400 0.83 SPR (0.38) ALDH1A1RECQL
SCHEMBL3579793 0.83 CRHBP (0.40) ALDH1A1MEN1KMT2APTGDR2
SCHEMBL3584470 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2ATACR1
SCHEMBL3583691 0.83 NAMPT (0.33) KDM4EALDH1A1CASP6MEN1KMT2A

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 EDNRB 2703/4885KDM4E 1442/4885ALDH1A1 2016/4885

“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.