SCHEMBL9958675

SCHEMBL9958675

O=C(Nc1ccc(F)cc1)C1C(=O)N(O)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.42
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL31653962 0.89 MEN1 (0.47) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL10153609 0.89 MEN1 (0.47) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL9959487 0.86 HTT (0.43) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL11788802 0.86 KMT2A (0.57) KMT2ATSHRMEN1LMNAGAA
SCHEMBL9953409 0.81 POLB (0.50) TSHRSMN1; SMN2ALDH1A1POLBKCNA5
SCHEMBL10153729 0.80 MAPT (0.46) KMT2ATSHRMAPTALDH1A1POLB
SCHEMBL9958705 0.79 HDAC4 (0.62) KMT2ATSHRMEN1LMNAGAA
SCHEMBL19380274 0.78 HDAC4 (0.44) KMT2ATSHRMEN1LMNAGAA
SCHEMBL31653994 0.77 KCNA5 (0.48) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL10153606 0.77 KCNA5 (0.48) KMT2AMEN1LMNAGAASMN1; SMN2

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 KMT2A 2169/4885TSHR 4437/4885MEN1 4053/4885

“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.