SCHEMBL1227739

SCHEMBL1227739

CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1cccc(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 7/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 2/20 0.38
DPP4 P27487 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
HPGD P15428 3/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 0.86 KDM4E (0.47) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226954 0.85 KDM4E (0.42) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1227655 0.85 KDM4E (0.42) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226414 0.84 KDM4E (0.42) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226474 0.82 PSIP1 (0.45) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226579 0.81 KDM4E (0.42) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226521 0.80 TSHR (0.44) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1226580 0.80 TAS1R3 (0.40) TSHRKDM4EHSD17B10TP53RAB9A
SCHEMBL1227026 0.79 TAS1R3 (0.43) KDM4EHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL1227129 0.79 TSHR (0.38) TSHRKDM4EHSD17B10TP53RAB9A

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 TSHR 4877/4885KDM4E 1194/4885HSD17B10 3646/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 TSHR 4877/4885KDM4E 1194/4885HSD17B10 3646/4885

“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.