SCHEMBL1227748

SCHEMBL1227748

CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
PSIP1 O75475 4/20 0.36
P2RX3 P56373 4/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1227801 0.91 TSHR (0.44) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1227916 0.90 TSHR (0.41) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1227596 0.90 TSHR (0.41) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1227880 0.89 TSHR (0.47) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1226460 0.89 PSIP1 (0.42) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1226406 0.89 TSHR (0.40) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1227845 0.85 MAPK1 (0.45) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1228037 0.84 NPSR1 (0.43) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL1227124 0.84 MAPK1 (0.44) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL12899520 0.83 NPSR1 (0.41) TSHRLMNAMAPTKDM4EALDH1A1

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 4877/4885LMNA 3892/4885MAPT 2788/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 TSHR 4877/4885LMNA 3892/4885MAPT 2788/4885

“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.