SCHEMBL9959015

SCHEMBL9959015

CCN(CC)C(=O)C1C(=O)N(O)C(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KEAP1 Q14145 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
P2RX4 Q99571 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL9958985 0.82 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10154016 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11789850 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL9953816 0.77 MAPT (0.42) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL9952800 0.77 ATM (0.42) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL10153604 0.77 KCNA5 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19380301 0.77 HDAC3 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL19380274 0.77 HDAC4 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20777883 0.75 ALDH1A1 (0.44) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL10153314 0.75 KMT2A (0.54) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070165-A1 N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION SAINT LOUIS UNIVERSITY (US) 2019-03-07 US disclosed
WO-2017161133-A1 N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION SAINT LOUIS UNIVERSITY (US) 2017-09-21 WO disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 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-20190070165-A1 N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION HCCS, HAVCR2, HDGF MEN1 4053/4885KMT2A 2169/4885USP2 1983/4885

“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.