SCHEMBL3586121

SCHEMBL3586121

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccccc3Cl)c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.36
TACR1 P25103 2/20 0.35
TP53 P04637 1/20 0.33
KCNJ6 P48051 2/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
ALDH1A1 P00352 3/20 0.32
TAS2R14 Q9NYV8 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
BRD4 O60885 1/20 0.32
BRD3 Q15059 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
SCHEMBL3584470 0.92 MEN1 (0.42) MEN1KMT2AHSP90AA1TACR1KCNJ6
SCHEMBL3586897 0.91 KMT2A (0.42) MEN1KMT2AHSP90AA1TACR1KCNJ6
SCHEMBL3577635 0.90 CRHBP (0.40) MEN1KMT2AALDH1A1ALOX15GAA
SCHEMBL3585108 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL3582557 0.89 MEN1 (0.41) MEN1KMT2AHSP90AA1TACR1KCNJ6
SCHEMBL3589677 0.89 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL3580259 0.88 MEN1 (0.39) MEN1KMT2AHSP90AA1TACR1KCNJ6
SCHEMBL3579882 0.88 KMT2A (0.45) MEN1KMT2AHSP90AA1TACR1TAS2R14
SCHEMBL3587000 0.87 MEN1 (0.40) MEN1KMT2AHSP90AA1TACR1KCNJ6
SCHEMBL3575238 0.86 KMT2A (0.46) MEN1KMT2ATP53ALDH1A1BRD4

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 1816/4885HSP90AA1 3132/4885

“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.