Sugi Predict

Sugi Predict / Compounds / SCHEMBL3609347

SCHEMBL3609347

SCHEMBL3609347

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ PRNP P04156 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL3614435 0.94 RXFP1 (0.40) SIRT1RXFP1LMNAEPHX2CYP1A2
SCHEMBL2924397 0.89 ALDH1A1 (0.41) SIRT1RXFP1LMNACYP1A2CYP2C19
SCHEMBL3606479 0.89 MAPK1 (0.43) SIRT1RXFP1LMNACYP1A2CYP2C19
SCHEMBL2930507 0.88 MAP2 (0.43) RXFP1LMNANPSR1KDM4EHTT
SCHEMBL3609170 0.87 MAPK1 (0.45) SIRT1RXFP1LMNACYP1A2CYP2C19
SCHEMBL3611987 0.87 MAP2 (0.47) SIRT1KDM4ETSHR
SCHEMBL3620714 0.86 RXFP1 (0.36) SIRT1RXFP1LMNACYP1A2CYP2C19
SCHEMBL2924453 0.85 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL2930135 0.84 RXFP1 (0.42) SIRT1RXFP1LMNACYP1A2CYP2C19
SCHEMBL3606849 0.84 RXFP1 (0.40) SIRT1RXFP1LMNACYP1A2CYP2C19

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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 — — US claimed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 — — 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
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 — — 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 (2 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 SIRT1 745/4885RXFP1 1318/4885LMNA 3908/4885
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 SIRT1 397/4885RXFP1 1007/4885LMNA 3800/4885

“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.