SCHEMBL297632

SCHEMBL297632

O=C(O)c1ccn(CC(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PTGER1 P34995 1/20 0.38
PLA2G4A P47712 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC1 Q13547 1/20 0.33
FAAH O00519 3/20 0.33
MGLL Q99685 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 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
SCHEMBL17454395 0.84 ALDH1A1 (0.37) SMN1; SMN2KDM4CALDH1A1KMT2ACYP1A2
SCHEMBL4791335 0.84 KMT2A (0.38) SMN1; SMN2KDM4CALDH1A1KMT2ACYP1A2
SCHEMBL16796408 0.83 SMN1; SMN2 (0.46) SMN1; SMN2PTGER1PLA2G4AKDM4CALDH1A1
Trifluoroacetic Acid SCHEMBL16737214 0.82 L3MBTL1 (0.35) SMN1; SMN2KDM4CALDH1A1KMT2ACYP1A2
SCHEMBL4816233 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PTGER1PLA2G4AKDM4CALDH1A1
SCHEMBL17438091 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PTGER1PLA2G4AKDM4CALDH1A1
SCHEMBL17452563 0.80 HIF1A (0.38) SMN1; SMN2KDM4CALDH1A1KMT2ACYP1A2
SCHEMBL795573 0.80 NPC1 (0.53) SMN1; SMN2KDM4CALDH1A1KMT2ACYP1A2
SCHEMBL24724105 0.78 CYP1A2 (0.45) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL24335762 0.78 LTA4H (0.40) SMN1; SMN2ALDH1A1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-12077519-B2 Heteroaryl carboxamide compound ASTELLAS PHARMA INC. (JP) 2024-09-03 US disclosed
US-20240101532-A1 HETEROARYL CARBOXAMIDE COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2024-03-28 US disclosed
US-20240043403-A1 HETEROARYL CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2024-02-08 US disclosed
US-11802122-B2 2-oxoimidazolidine-4-carboxamides as NAv1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-31 US disclosed
US-11802122-B2 2-oxoimidazolidine-4-carboxamides as NAv1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-31 US disclosed
US-20230312528-A1 2-OXO-IMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230312528-A1 2-OXO-IMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063501-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 US disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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 (10 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-12077519-B2 Heteroaryl carboxamide compound PDCD1, DGKA, CD274 SMN1; SMN2 4688/4885PTGER1 2562/4885PLA2G4A 1849/4885
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 SMN1; SMN2 4586/4885PTGER1 2342/4885PLA2G4A 3536/4885
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP SMN1; SMN2 772/4885PTGER1 2077/4885PLA2G4A 748/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP SMN1; SMN2 799/4885PTGER1 1942/4885PLA2G4A 759/4885
US-20240101532-A1 HETEROARYL CARBOXAMIDE COMPOUND PDCD1, DGKA, CD274 SMN1; SMN2 4688/4885PTGER1 2562/4885PLA2G4A 1849/4885
US-20240043403-A1 HETEROARYL CARBOXAMIDE COMPOUND PDCD1, DGKA, CD274 SMN1; SMN2 4688/4885PTGER1 2562/4885PLA2G4A 1849/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP SMN1; SMN2 799/4885PTGER1 1942/4885PLA2G4A 759/4885
US-11802122-B2 2-oxoimidazolidine-4-carboxamides as NAv1.8 inhibitors SCN8A, TRPV1, SCN2A SMN1; SMN2 502/4885PTGER1 1125/4885PLA2G4A 948/4885
US-20230312528-A1 2-OXO-IMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS SCN8A, TRPV1, SCN2A SMN1; SMN2 440/4885PTGER1 1314/4885PLA2G4A 1072/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 SMN1; SMN2 663/4885PTGER1 4000/4885PLA2G4A 3646/4885

“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.