Sugi Predict

Sugi Predict / Compounds / SCHEMBL5541864

SCHEMBL5541864

SCHEMBL5541864

O=CNCc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACHE P22303 6/20 0.43
▸ BACE1 P56817 3/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ADH1B P00325 1/20 0.39
▸ ADH1C P00326 1/20 0.39
▸ ADH1A P07327 1/20 0.39
▸ ADH7 P40394 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK8 P45983 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
SCHEMBL2402620 0.85 PSEN1 (0.40) ADH1BADH1CADH1AADH7MAPK8
SCHEMBL21540820 0.81 DAO (0.43) IDO1AGXTKDM4ESMN1; SMN2ACHE
SCHEMBL26568731 0.81 P2RX7 (0.43) KDM4EADH1BADH1CADH1AADH7
SCHEMBL12497219 0.81 CXCR3 (0.43) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL17574522 0.81 P2RX7 (0.45) KDM4ESMN1; SMN2P2RX7
SCHEMBL19017833 0.81 P2RX7 (0.43) KDM4ESMN1; SMN2ADH1BADH1CADH1A
SCHEMBL5546205 0.81 KDM1A (0.44) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL24186105 0.81 IDO1 (0.44) IDO1AGXTKDM4ESMN1; SMN2ACHE
SCHEMBL22854936 0.79 IDO1 (0.50) IDO1P2RX7
SCHEMBL25292969 0.79 ADH1B (0.35) KDM4EBACE1ADH1BADH1CADH1A

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-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 — — US claimed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 — — WO disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — EP disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 — — US disclosed
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 — — US disclosed
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 — — US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 — — US disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — US disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 — — US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — 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-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 — — 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-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 — — US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 — — US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 — — US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 — — 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885AGXT 2967/4885KDM4E 4854/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX IDO1 16/4885AGXT 4348/4885KDM4E 813/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A IDO1 4379/4885AGXT 4521/4885KDM4E 2066/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 IDO1 150/4885AGXT 1046/4885KDM4E 698/4885
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES QDPR, CYP3A5, CYP3A7 IDO1 2407/4885AGXT 2112/4885KDM4E 4127/4885

“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.