Sugi Predict

Sugi Predict / Compounds / SCHEMBL164105

SCHEMBL164105

SCHEMBL164105

CC(C)(C)OC(=O)Nc1ccc(CN)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.52
▸ NAMPT P43490 2/20 0.49
▸ GRIN2B Q13224 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ MAPKAPK2 P49137 4/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ BCL2 P10415 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ RET P07949 1/20 0.38

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
SCHEMBL29523504 1.00 HDAC1 (0.52) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL8362974 0.89 HDAC1 (0.53) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL540536 0.87 NAMPT (0.50) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL15354526 0.87 NAMPT (0.50) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL27938545 0.86 GAA (0.45) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL540467 0.86 NAMPT (0.49) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL21394710 0.86 NAMPT (0.49) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL10087556 0.86 NAMPT (0.49) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL9980800 0.86 NAMPT (0.49) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL5076532 0.85 NAMPT (0.47) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-23 — — US disclosed
WO-2025079680-A1 NEUROPROTECTIVE AGENT 国立研究開発法人国立精神・神経医療研究センター 2025-04-17 — — WO disclosed
US-20250090658-A1 POLYMER ADJUVANT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2025-03-20 — — US disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 — — EP disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 — — US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 — — US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 — — US disclosed
EP-3833439-B1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES BRISTOL MYERS SQUIBB CO (US) 2023-07-12 — — EP disclosed
EP-4157821-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2023-04-05 — — EP disclosed
US-20220348562-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES BRISTOL MYERS SQUIBB CO (US) 2022-11-03 — — US disclosed
EP-1697323-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-09-06 — — EP disclosed
US-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors ALTANA PHARMA A G (DE) 2005-11-17 — — US disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 — — WO disclosed
WO-2005058826-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-06-30 — — WO disclosed
EP-1534267-A1 PYRROLIDINE DERIVATIVES AS TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2005-06-01 — — EP disclosed
WO-2004012731-A1 PYRROLIDINE DERIVATIVES AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-02-12 — — WO disclosed
EP-0934064-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2003-03-12 — — EP disclosed
EP-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 — — EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 — — WO disclosed
US-5869487-A HIGH SELECTIVITY FOR THROMBIN; TREATING UNSTABLE ANGINA, MYOCARDIAL INFARCTION, ATRIAL FIBRILLATION, DEEP VEIN THROMBOSIS AND OTHER DISEASES MERCK & CO., INC. (US) 1999-02-09 — — 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 (5 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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 HDAC1 32/4885NAMPT 566/4885GRIN2B 1448/4885
US-20250090658-A1 POLYMER ADJUVANT TLR3, TLR9, TLR1 HDAC1 4012/4885NAMPT 2967/4885GRIN2B 1978/4885
US-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BPGM, PNMT, DDT HDAC1 1490/4885NAMPT 2130/4885GRIN2B 270/4885
US-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors TPSAB1, TPSB2, TPSD1 HDAC1 715/4885NAMPT 1195/4885GRIN2B 242/4885
US-20220348562-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES PADI4, PADI1, PADI2 HDAC1 31/4885NAMPT 1093/4885GRIN2B 3418/4885

“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.