SCHEMBL3476752

SCHEMBL3476752

O=C(NCc1ccccc1O)Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAMPT P43490 3/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL3476757 0.88 NAMPT (0.52) LMNAMAPTTDP1NAMPTMEN1
SCHEMBL3613862 0.85 LMNA (0.48) LMNAMAPTTDP1KMT2AL3MBTL1
SCHEMBL3476812 0.84 NPC1 (0.50) MAPTTDP1NAMPTMEN1KMT2A
SCHEMBL3477440 0.84 LMNA (0.43) LMNAMAPTTDP1KMT2ANPSR1
SCHEMBL3476368 0.83 NAMPT (0.54) MAPTNAMPTKMT2AKDM4EALDH1A1
SCHEMBL3477801 0.83 ALDH1A1 (0.43) MAPTNAMPTPKML3MBTL1KDM4E
SCHEMBL3476271 0.82 NAMPT (0.57) LMNAMAPTNAMPTSMN1; SMN2ALDH1A1
SCHEMBL3476335 0.82 NAMPT (0.45) LMNAMAPTNAMPTMEN1KMT2A
SCHEMBL3478247 0.82 L3MBTL1 (0.41) LMNAMAPTTDP1NAMPTMEN1
SCHEMBL3477114 0.82 MAPT (0.51) LMNAMAPTNAMPTMEN1KMT2A

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
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
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E LMNA 3689/4885MAPT 1105/4885TDP1 117/4885

“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.