SCHEMBL3588435

SCHEMBL3588435

Cc1c(C(=O)N(C)Cc2ccccc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RIPK1 Q13546 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCR3 P49682 1/20 0.34
GAA P10253 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
RECQL P46063 1/20 0.33
MAP2 P11137 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL3586766 0.95 KMT2A (0.38) KMT2AMEN1ATMTDP1RIPK1
SCHEMBL3580259 0.93 MEN1 (0.39) KMT2AMEN1ATMPTGDR2MAP2
SCHEMBL3578045 0.91 PTGDR2 (0.35) RIPK1PTGDR2MAP2
SCHEMBL3588250 0.89 ATM (0.42) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL3586265 0.88 HTR6 (0.39) KMT2AMEN1ATMTDP1RIPK1
SCHEMBL3589677 0.88 MEN1 (0.39) KMT2AMEN1ATMTDP1RIPK1
SCHEMBL3592623 0.87 MEN1 (0.43) KMT2AMEN1ATMTDP1RIPK1
SCHEMBL3589589 0.86 MAP2 (0.35) RIPK1PTGDR2MAP2
SCHEMBL3584470 0.86 MEN1 (0.42) KMT2AMEN1HTTGAAMAP2
SCHEMBL3585374 0.84 NR3C1 (0.38) KMT2AMEN1ATMCXCR3GAA

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 KMT2A 1816/4885MEN1 4584/4885ATM 2570/4885

“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.