SCHEMBL3606479

SCHEMBL3606479

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT1 Q96EB6 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PRNP P04156 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAP2 P11137 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL3609170 0.99 MAPK1 (0.45) MAPK1SMN1; SMN2SIRT1LMNAMAPT
SCHEMBL2924397 0.98 ALDH1A1 (0.41) MAPK1SMN1; SMN2SIRT1LMNAMAPT
SCHEMBL2924453 0.90 ALDH1A1 (0.50) MAPTALDH1A1
SCHEMBL2930507 0.90 MAP2 (0.43) SMN1; SMN2LMNAMAPTTDP1GAA
SCHEMBL3476668 0.89 RXFP1 (0.49) MAPK1LMNAMAPTTDP1GAA
SCHEMBL3609347 0.89 SIRT1 (0.40) MAPK1SMN1; SMN2SIRT1LMNAMAPT
SCHEMBL3606849 0.88 RXFP1 (0.40) SIRT1LMNAMAPTTDP1GAA
SCHEMBL3620714 0.88 RXFP1 (0.36) MAPK1SMN1; SMN2SIRT1LMNAMAPT
SCHEMBL3618075 0.86 KIF18A (0.38) MAPK1SMN1; SMN2SIRT1LMNAMAPT
SCHEMBL2930135 0.86 RXFP1 (0.42) SIRT1LMNAMAPTTDP1GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002368-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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT MAPK1 3023/4885SMN1; SMN2 3405/4885SIRT1 745/4885

“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.