SCHEMBL3580259

SCHEMBL3580259

Cc1c(C(=O)N(C)Cc2ccccc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TACR1 P25103 4/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
MAP2 P11137 2/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 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
SCHEMBL3584470 0.94 MEN1 (0.42) MEN1KMT2ATACR1HSP90AA1ALDH1A1
SCHEMBL3588435 0.93 KMT2A (0.36) MEN1KMT2AHSP90AA1PTGDR2ALDH1A1
SCHEMBL3587000 0.90 MEN1 (0.40) MEN1KMT2ATACR1HSP90AA1MAPT
SCHEMBL3588250 0.89 ATM (0.42) MEN1KMT2AHSP90AA1ALDH1A1ATM
SCHEMBL3582557 0.88 MEN1 (0.41) MEN1KMT2ATACR1HSP90AA1PTGDR2
SCHEMBL3586766 0.88 KMT2A (0.38) MEN1KMT2AHSP90AA1PTGDR2ALDH1A1
SCHEMBL3586121 0.88 MEN1 (0.44) MEN1KMT2ATACR1HSP90AA1ALDH1A1
SCHEMBL3578045 0.88 PTGDR2 (0.35) PTGDR2MAP2
SCHEMBL3586897 0.87 KMT2A (0.42) MEN1KMT2ATACR1HSP90AA1MAPT
SCHEMBL3579793 0.84 CRHBP (0.40) MEN1KMT2APTGDR2ALDH1A1MAP2

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 MEN1 4584/4885KMT2A 1816/4885TACR1 4132/4885

“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.