Sugi Predict

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SCHEMBL1401153

SCHEMBL1401153

CC(C)(C)OC(=O)NNC(=O)c1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ NPC1 O15118 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MAPT P10636 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALPL P05186 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL5558537 0.84 MYC (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17680509 0.83 POLB (0.53) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL15146240 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL6165738 0.82 RAB9A (0.47) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL17236166 0.82 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL24934247 0.81 KAT6A (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL13754826 0.81 HDAC8 (0.54) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL3842089 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL31407324 0.80 TP53BP1 (0.70) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL15146308 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 — — US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — WO disclosed
EP-1694654-B1 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2011-03-02 — — EP disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 — — US disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 — — US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 — — US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 — — US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 — — US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 — — US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 — — EP disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 — — US disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 — — US disclosed
EP-1606269-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-12-21 — — EP disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 — — US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 — — WO disclosed
WO-2004083190-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO. INC. (US) 2004-09-30 — — WO disclosed
WO-2004083189-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-09-30 — — 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 (6 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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A SMN1; SMN2 840/4885MEN1 684/4885KMT2A 2470/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 SMN1; SMN2 4243/4885MEN1 4788/4885KMT2A 2069/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SMN1; SMN2 629/4885MEN1 2759/4885KMT2A 2117/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SMN1; SMN2 787/4885MEN1 2063/4885KMT2A 1786/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SMN1; SMN2 880/4885MEN1 693/4885KMT2A 2363/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 SMN1; SMN2 4243/4885MEN1 4788/4885KMT2A 2069/4885

“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.