SCHEMBL2330864

SCHEMBL2330864

COCCN1C(=O)c2c(Cl)cccc2C(C(=O)Nc2cccc(OC)c2)C1c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 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
SCHEMBL2332194 0.91 GAA (0.48) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2333676 0.90 GAA (0.47) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2337039 0.88 GAA (0.60) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2379425 0.88 GAA (0.60) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2379561 0.88 GAA (0.60) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2334132 0.87 GAA (0.44) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2337907 0.87 GAA (0.44) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2334173 0.87 GAA (0.49) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2335774 0.87 GAA (0.54) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2334949 0.86 GAA (0.49) GAASMN1; SMN2RAB9ANPC1CYP2C9

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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US claimed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 GAA 2348/4885SMN1; SMN2 4405/4885RAB9A 1826/4885

“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.