SCHEMBL2376720

SCHEMBL2376720

O=C1NC(c2cccs2)Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.51
HSD17B10 Q99714 2/20 0.50
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
DYRK1A Q13627 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
AKT1 P31749 1/20 0.38
PARP1 P09874 2/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL28923871 0.78 AR (0.45) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL28618547 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL4053132 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11470378 0.73 NOS3 (0.50) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL6124153 0.71 TSHR (0.53) ALDH1A1TSHRDYRK1ACA12CA9
SCHEMBL29458467 0.71 TSHR (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL15256109 0.71 NOS3 (0.48) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL30821409 0.71 PARP1 (0.57) TSHRDYRK1ACA12CA9PARP1
SCHEMBL28645238 0.70 KDM4E (1.00) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8945868 0.70 BCHE (0.39) KDM4EALDH1A1NOS2NOS3MEN1

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 1 patent. 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 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 KDM4E 2120/4885ALDH1A1 2613/4885HPGD 1274/4885

“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.