SCHEMBL3477657

SCHEMBL3477657

O=C(Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1)NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
EPHX2 P34913 3/20 0.41
KMT2A Q03164 3/20 0.40
CNR2 P34972 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3477999 0.97 EPHX2 (0.45) HTTEPHX2KMT2ACNR2MEN1
SCHEMBL3477116 0.84 MAPK1 (0.43) KMT2ALMNAMAPK1MAPTTDP1
SCHEMBL3477282 0.84 RAB9A (0.44) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL3477583 0.84 LMNA (0.41) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL3477440 0.84 LMNA (0.43) KMT2ACNR2LMNAALDH1A1MAPT
SCHEMBL3477114 0.84 MAPT (0.51) HTTKMT2AMEN1LMNAKDM4E
SCHEMBL3476253 0.83 RAB9A (0.43) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL3476315 0.81 CCKBR (0.39) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3476757 0.81 NAMPT (0.52) HTTKMT2ACNR2MEN1LMNA
SCHEMBL3477008 0.80 RAB9A (0.49) HTTKMT2AMEN1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US claimed

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E HTT 3817/4885EPHX2 2518/4885KMT2A 1569/4885

“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.