SCHEMBL3476368

SCHEMBL3476368

O=C(NCc1ccncc1)Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.54
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.91 NAMPT (0.52) NAMPTALDH1A1MAPTKMT2A
SCHEMBL3477794 0.90 NAMPT (0.57) NAMPTALDH1A1KMT2A
SCHEMBL3607172 0.85 NAMPT (0.48) NAMPTALDH1A1MAPTKMT2A
SCHEMBL3476271 0.85 NAMPT (0.57) NAMPTALDH1A1MAPT
SCHEMBL3478269 0.85 NAMPT (0.42) NAMPTMAPTKDM4E
SCHEMBL3476812 0.85 NPC1 (0.50) NAMPTALDH1A1MAPTKDM4ENPC1
SCHEMBL3476335 0.85 NAMPT (0.45) NAMPTALDH1A1MAPTKMT2A
SCHEMBL3477440 0.85 LMNA (0.43) ALDH1A1MAPTKMT2A
SCHEMBL3476752 0.83 LMNA (0.43) NAMPTALDH1A1MAPTKDM4EKMT2A
SCHEMBL3477801 0.82 ALDH1A1 (0.43) NAMPTALDH1A1MAPTKDM4E

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-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
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 NAMPT 58/4885ALDH1A1 1178/4885MAPT 1105/4885

“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.