SCHEMBL3476880

SCHEMBL3476880

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
UBE2N P61088 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CXCR2 P25025 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL3477440 0.86 LMNA (0.43) LMNAALDH1A1KMT2AMAPTTDP1
SCHEMBL3477830 0.85 LMNA (0.41) LMNAKMT2AMAPTTDP1GAA
SCHEMBL3476809 0.85 KDM4E (0.41) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL3477801 0.83 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3478247 0.82 L3MBTL1 (0.41) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL3477116 0.81 MAPK1 (0.43) LMNAKMT2AMAPTTDP1GAA
SCHEMBL3476757 0.81 NAMPT (0.52) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL3477796 0.79 TSHR (0.49) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL3476368 0.79 NAMPT (0.54) KDM4EALDH1A1KMT2AMAPT
SCHEMBL3476752 0.79 LMNA (0.43) KDM4ELMNAALDH1A1KMT2AMAPT

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 3 patents. 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
EP-1898927-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO 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 KDM4E 1660/4885LMNA 3689/4885ALDH1A1 1178/4885

“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.