SCHEMBL4459368

SCHEMBL4459368

CC(C)CN1C(=O)c2c(F)ccc(F)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
EP300 Q09472 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
MPO P05164 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL4473173 0.83 TRPA1 (0.51) TRPA1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL6230683 0.83 TRPA1 (0.51) TRPA1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL23665440 0.79 EP300 (0.40) ALDH1A1RAB9AEP300L3MBTL1TSHR
SCHEMBL5998716 0.73 KMT2A (0.33) TRPA1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL5998703 0.73 KMT2A (0.33) TRPA1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL24303350 0.72 USP2 (0.42) CYP19A1MAPT
SCHEMBL5996108 0.72 PIN1 (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL5997837 0.72 PIN1 (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL7265464 0.71 TRPA1 (0.32) TRPA1ALDH1A1KDM4E
SCHEMBL5997105 0.71 KMT2A (0.40) ALDH1A1HSD17B10TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7078428-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 US disclosed
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 TRPA1 1325/4885ALDH1A1 243/4885RAB9A 4055/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 TRPA1 1319/4885ALDH1A1 185/4885RAB9A 4093/4885

“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.