SCHEMBL5332483

SCHEMBL5332483

CC(C)(C)OC(=O)n1c(-c2ccc([N+](=O)[O-])c3c2C(=O)NC3)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.38
SRD5A2 P31213 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
BACE1 P56817 1/20 0.36
NR1H3 Q13133 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL5460923 0.90 AURKA (0.41) SRD5A2AURKAKDRBACE1MEN1
SCHEMBL5327155 0.88 ATR (0.42) NR1H2KDRBRD4CREBBPATR
SCHEMBL5328430 0.84 AURKA (0.55) NR1H2SRD5A2AURKAKDRNR1H3
SCHEMBL5334220 0.82 AURKA (0.46) NR1H2SRD5A2AURKAKDRNR1H3
SCHEMBL5456097 0.79 ALDH1A1 (0.37) AURKAKDR
SCHEMBL5331995 0.77 AURKA (0.42) NR1H2SRD5A2AURKAKDRNR1H3
SCHEMBL3044248 0.77 MEN1 (0.45) NR1H2NR1H3MEN1NPC1RAB9A
SCHEMBL3046659 0.76 NR1H2 (0.44) NR1H2NR1H3BRD4CREBBP
SCHEMBL3043950 0.74 HRH3 (0.43) NR1H2AURKAKDRATRATRIP
SCHEMBL3034386 0.74 BRD4 (0.51) NR1H2NR1H3BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US claimed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO claimed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 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 (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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders MAP3K20, MAP3K3, MAP3K19 NR1H2 640/4885SRD5A2 988/4885AURKA 669/4885

“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.