SCHEMBL9953442

SCHEMBL9953442

O=C(NCc1ccccc1)C1C(=O)N(O)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MC4R P32245 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FBP1 P09467 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
IDO1 P14902 1/20 0.42
FPR1 P21462 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10154090 0.90 KCNA5 (0.47) KCNA5LMNAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9953409 0.90 POLB (0.50) KCNA5POLBALDH1A1SMN1; SMN2
SCHEMBL10153615 0.87 SCN9A (0.54) KCNA5LMNAPOLBALDH1A1HPGD
SCHEMBL11800163 0.86 KCNA5 (0.55) KCNA5LMNAPOLBALDH1A1MC4R
SCHEMBL9958520 0.86 ERCC1 (0.47) KCNA5
SCHEMBL9958635 0.83 ALDH1A1 (0.50) LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL9959313 0.82 KCNA5 (0.48) KCNA5LMNAPOLBUSP2ALDH1A1
SCHEMBL10153587 0.82 MAPT (0.59) LMNAPOLBUSP2ALDH1A1HPGD
SCHEMBL10153604 0.82 KCNA5 (0.47) KCNA5LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL6649484 0.81 LMNA (0.69) KCNA5LMNAUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KCNA5 4831/4885LMNA 1966/4885POLB 126/4885

“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.