Sugi Predict

Sugi Predict / Compounds / SCHEMBL3249771

SCHEMBL3249771

SCHEMBL3249771

O=[C]NCc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ P2RX7 Q99572 4/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ CES2 O00748 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL81122 0.84 LMNA (0.55) LMNARIPK1KMT2AMEN1MAPT
SCHEMBL3237948 0.82 CA2 (0.41) P2RX7RIPK1CES2CES1
SCHEMBL3246876 0.81 P2RX7 (0.35) LMNAAKR1B1P2RX7AURKAPDPK1
SCHEMBL5544611 0.78 HTT (0.36) LMNAKMT2ACES2CES1MEN1
SCHEMBL5225999 0.75 CES2 (0.40) LMNAAKR1B1RIPK1CES2BCHE
SCHEMBL23803551 0.74 P2RX7 (0.40) LMNAP2RX7AURKAPDPK1RPS6KB1
SCHEMBL3482873 0.74 MCL1 (0.50) LMNAP2RX7RIPK1KMT2AMEN1
SCHEMBL6068499 0.74 MAPT (0.41) LMNAP2RX7AURKAPDPK1RPS6KB1
SCHEMBL5536436 0.73 ADH1B (0.44) LMNAAKR1B1P2RX7AURKAPDPK1
Hydrochloric Acid SCHEMBL22190204 0.72 P2RX7 (0.40) LMNAP2RX7AURKAPDPK1RPS6KB1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249077-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME Shionogi & Co., Ltd (JP) 2023-09-27 — — EP disclosed
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME SHIONOGI & CO., LTD. (JP) 2023-09-07 — — US disclosed
CN-111386276-B Stereoselective process for preparing substituted polycyclic pyridone derivatives 盐野义制药株式会社 2023-06-23 — — CN disclosed
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2023-02-09 — — US disclosed
EP-3693373-A1 METHOD FOR STEREOSELECTIVELY PRODUCING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2020-08-12 — — EP disclosed
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2020-08-06 — — US disclosed
CN-111386276-A Stereoselective process for preparing substituted polycyclic pyridone derivatives 盐野义制药株式会社 2020-07-07 — — CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 — — US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 — — US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 — — EP 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-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 LMNA 657/4885AKR1B1 823/4885P2RX7 1833/4885
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME ATL3, CBR3, CLIC1 LMNA 1395/4885AKR1B1 153/4885P2RX7 2930/4885
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, RNASEL LMNA 638/4885AKR1B1 841/4885P2RX7 1833/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LMNA 4152/4885AKR1B1 495/4885P2RX7 3548/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 LMNA 1519/4885AKR1B1 418/4885P2RX7 4125/4885

“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.