SCHEMBL3614435

SCHEMBL3614435

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCC(F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
PRNP P04156 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
BAZ2B Q9UIF8 1/20 0.34
USP2 O75604 2/20 0.34

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
SCHEMBL3609347 0.94 SIRT1 (0.40) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3617971 0.87 MAP2 (0.46) SIRT1KDM4ETSHR
SCHEMBL2930135 0.84 RXFP1 (0.42) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3606479 0.84 MAPK1 (0.43) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL2924397 0.84 ALDH1A1 (0.41) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3609170 0.83 MAPK1 (0.45) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3619936 0.83 USP2 (0.40) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL2931903 0.83 RXFP1 (0.46) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL2924649 0.83 RXFP1 (0.46) RXFP1SIRT1CYP1A2CYP2C19PRNP
SCHEMBL3616596 0.82 MAP2 (0.46) SIRT1POLB

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-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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT RXFP1 1318/4885SIRT1 745/4885CYP1A2 510/4885

“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.