SCHEMBL1226437

SCHEMBL1226437

CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXRA P19793 4/20 0.41
NR4A2 P43354 4/20 0.41
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PRNP P04156 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1226367 0.87 KDM4E (0.47) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1227837 0.86 KDM4E (0.46) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1226579 0.86 KDM4E (0.42) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1226474 0.83 PSIP1 (0.45) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1226558 0.83 KDM4E (0.44) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1227777 0.83 RXRA (0.56) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1226521 0.83 TSHR (0.44) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1227685 0.81 ADORA3 (0.43) KDM4ERAB9AHSD17B10LMNAALDH1A1
SCHEMBL1226414 0.81 KDM4E (0.42) KDM4ERAB9ATP53HSD17B10TSHR
SCHEMBL1227655 0.81 KDM4E (0.42) KDM4ERAB9ATP53HSD17B10TSHR

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
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US disclosed
EP-2462122-A1 NOVEL VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-06-13 EP disclosed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US disclosed
WO-2011015641-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-02-10 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 (2 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-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 KDM4E 1194/4885RAB9A 1453/4885TP53 2852/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 KDM4E 1194/4885RAB9A 1453/4885TP53 2852/4885

“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.