SCHEMBL1226580

SCHEMBL1226580

CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1ccc2occc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
MAT2A P31153 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL1228051 0.91 PSIP1 (0.42) ADORA2AADORA1CTNNB1WNT3APSIP1
SCHEMBL1226954 0.88 KDM4E (0.42) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1226367 0.86 KDM4E (0.47) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1226414 0.85 KDM4E (0.42) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1226474 0.84 PSIP1 (0.45) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1227655 0.84 KDM4E (0.42) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1227738 0.83 TAS1R3 (0.41) TAS1R3TAS1R1TSHRKDM4ETP53
SCHEMBL1227116 0.83 TSHR (0.40) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1226579 0.82 KDM4E (0.42) TSHRKDM4ETP53RAB9AHSD17B10
SCHEMBL1227773 0.82 HSD11B1 (0.41) TSHRKDM4ETP53RAB9AHSD17B10

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 16 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 claimed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US claimed
EP-2462122-A1 NOVEL VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-06-13 EP claimed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US claimed
WO-2011015641-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-02-10 WO claimed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
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
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 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
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US 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 TAS1R3 4548/4885TAS1R1 4407/4885TSHR 4877/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 TAS1R3 4548/4885TAS1R1 4407/4885TSHR 4877/4885

“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.