SCHEMBL4409822

SCHEMBL4409822

CC(C)(C)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.57
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.48
SCN2A Q99250 2/20 0.48
S100A4 P26447 2/20 0.45
ADORA2A P29274 1/20 0.45
CCR9 P51686 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PTPRC P08575 1/20 0.42

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
SCHEMBL5151001 0.83 KDM4E (0.71) KDM4ELMNACA2CA9CA12
SCHEMBL31259847 0.83 KDM4E (0.71) KDM4ELMNACA2CA9CA12
SCHEMBL11309121 0.82 KDM4E (0.62) KDM4ELMNACA2CA9CA12
SCHEMBL11308425 0.82 KDM4E (0.62) KDM4ELMNACA2CA9CA12
SCHEMBL11402428 0.81 KDM4E (0.61) KDM4ELMNACA2CA9CA12
Hydrochloric Acid SCHEMBL11406824 0.81 KDM4E (0.61) KDM4ELMNACA2CA9CA12
SCHEMBL9502422 0.81 KDM4E (0.61) KDM4ELMNACA2CA9CA12
SCHEMBL14881886 0.81 KDM4E (0.57) KDM4ELMNACA2CA9CA12
SCHEMBL4409797 0.79 ADORA2A (0.70) KDM4ECA2CA9CA12CA1
SCHEMBL4230682 0.79 CA9 (0.60) KDM4ELMNACA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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 (1 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-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 KDM4E 3462/4885LMNA 3321/4885CA2 1834/4885

“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.