Sugi Predict

Sugi Predict / Compounds / SCHEMBL838079

SCHEMBL838079

SCHEMBL838079

N#CC(C(=O)c1ccncc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ PLOD2 O00469 1/20 0.43
▸ PLOD3 O60568 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PLOD1 Q02809 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.42
▸ CES2 O00748 1/20 0.42

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
SCHEMBL14519387 0.93 L3MBTL1 (0.49) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL5505530 0.88 L3MBTL1 (0.61) L3MBTL1TDP1CYP3A4ALDH1A1CYP2D6
SCHEMBL7202862 0.88 L3MBTL1 (0.55) L3MBTL1HSD17B10TDP1CYP3A4ALDH1A1
SCHEMBL15022277 0.84 LMNA (0.50) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL4461300 0.84 L3MBTL1 (0.50) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL13916052 0.83 ESR2 (0.47) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL8992867 0.83 L3MBTL1 (0.50) L3MBTL1ESR2HSD17B10TDP1CYP3A4
SCHEMBL6545950 0.83 ALDH1A1 (0.50) EPHX2ALDH1A1CYP2C9PLOD2CYP2C19
SCHEMBL5256232 0.81 L3MBTL1 (0.47) L3MBTL1ESR2HSD17B10MEN1KMT2A
SCHEMBL6176444 0.81 LTA4H (0.50) L3MBTL1ESR2HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 — — US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 — — CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 — — US disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 — — US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 — — US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 — — US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 — — US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 — — US disclosed
EP-3507290-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES Agios Pharmaceuticals, Inc. (US) 2019-07-10 — — EP disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
WO-2018045071-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 — — WO disclosed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 — — US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — US disclosed
CN-101808992-B 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2012-09-26 — — CN disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 — — US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 — — EP disclosed
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 — — CN disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885ESR2 2026/4885HSD17B10 880/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885ESR2 2026/4885HSD17B10 880/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885ESR2 2026/4885HSD17B10 880/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R L3MBTL1 2134/4885ESR2 241/4885HSD17B10 325/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R L3MBTL1 2134/4885ESR2 241/4885HSD17B10 325/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 L3MBTL1 2793/4885ESR2 2026/4885HSD17B10 880/4885

“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.