Sugi Predict

Sugi Predict / Compounds / SCHEMBL3486119

SCHEMBL3486119

SCHEMBL3486119

O=[C]N(c1ccccc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MLYCD O95822 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTPN1 P18031 1/20 0.31
▸ NR1H3 Q13133 3/20 0.31
▸ POLQ O75417 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL6002979 0.79 ELANE (0.32) ALDH1A1NPSR1ALOX15MEN1KMT2A
SCHEMBL11871425 0.77 MLYCD (0.37) CES1ALDH1A1NPSR1ALOX15MLYCD
SCHEMBL8568023 0.70 HTT (0.38) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL28816160 0.69 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15MEN1KMT2A
SCHEMBL2015505 0.69 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15MEN1KMT2A
SCHEMBL4033878 0.69 MEN1 (0.42) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL6911977 0.67 ALDH1A1 (0.41) CES1ALDH1A1NPSR1ALOX15MLYCD
SCHEMBL30947663 0.67 ALDH1A1 (0.41) CES1ALDH1A1NPSR1ALOX15MLYCD
SCHEMBL728216 0.67 ALDH1A1 (0.41) CES1ALDH1A1NPSR1ALOX15MLYCD
SCHEMBL104821 0.67 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed
CN-1095383-A The 6-azepine androstenone that replaces GLAXO INC (US) 1994-11-23 — — CN claimed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
CN-102639487-A Therapeutic aryl-amido-aryl compounds and their uses KING S COLLEGE LONDON 2012-08-15 — — CN disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 — — US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 — — EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 — — WO disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 — — US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 — — US disclosed
US-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 — — US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 — — EP disclosed
CN-1089947-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-07-27 — — CN disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 — — EP disclosed
EP-0515265-A1 Pyrimidin derivates, process for their preparation, the obtained intermediates, their use as medicines and the pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-11-25 — — 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 (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-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 CES1 714/4885ALDH1A1 3177/4885NPSR1 578/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CES1 2911/4885ALDH1A1 2652/4885NPSR1 339/4885

“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.