SCHEMBL3476757

SCHEMBL3476757

O=C(NCc1ccccc1)Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.52
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3476368 0.91 NAMPT (0.54) NAMPTALDH1A1KMT2AMAPT
SCHEMBL3477801 0.91 ALDH1A1 (0.43) NAMPTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL3476271 0.90 NAMPT (0.57) NAMPTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3476335 0.90 NAMPT (0.45) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3477794 0.89 NAMPT (0.57) NAMPTCNR1CNR2ALDH1A1MEN1
SCHEMBL3476809 0.89 KDM4E (0.41) NAMPTCNR1CNR2ALDH1A1MEN1
SCHEMBL3476752 0.88 LMNA (0.43) NAMPTCNR1ALDH1A1MEN1KMT2A
SCHEMBL3476812 0.87 NPC1 (0.50) NAMPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3477114 0.86 MAPT (0.51) NAMPTCNR1ALDH1A1CA12CA9
SCHEMBL3477440 0.86 LMNA (0.43) CNR1CNR2ALDH1A1KMT2ALMNA

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 NAMPT 58/4885CNR1 4488/4885CNR2 4854/4885

“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.