SCHEMBL3476271

SCHEMBL3476271

O=C(NCc1cccc(F)c1)Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.57
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ROCK2 O75116 1/20 0.39

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 0.90 NAMPT (0.52) NAMPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL3476335 0.90 NAMPT (0.45) NAMPTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3477794 0.85 NAMPT (0.57) NAMPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL3476368 0.85 NAMPT (0.54) NAMPTALDH1A1MAPT
SCHEMBL3477603 0.85 EPHX2 (0.46) NAMPTSMN1; SMN2GAAEPHX2MAPK1
SCHEMBL3477801 0.83 ALDH1A1 (0.43) NAMPTTP53SMN1; SMN2GAAEPHX2
SCHEMBL3477440 0.82 LMNA (0.43) TP53SMN1; SMN2GAALMNAALDH1A1
SCHEMBL3476752 0.82 LMNA (0.43) NAMPTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3476315 0.82 CCKBR (0.39) NAMPTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3476809 0.82 KDM4E (0.41) NAMPTTP53SMN1; SMN2GAALMNA

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 6 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
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US disclosed
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US disclosed
EP-1898927-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO 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 58/4885TP53 2219/4885SMN1; SMN2 2272/4885

“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.