SCHEMBL1227124

SCHEMBL1227124

CCCC(C(=O)OC)c1c(C)nc(N2CCCCC2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
PTGS2 P35354 2/20 0.40
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
MCHR1 Q99705 4/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 4/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1227845 0.93 MAPK1 (0.45) MAPK1PTGS2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1227972 0.88 MAPK1 (0.41) MAPK1PTGS2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1226413 0.87 ALDH1A1 (0.43) MAPK1PTGS2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1227748 0.84 TSHR (0.40) MAPK1PTGS2ALDH1A1SMN1; SMN2TSHR
SCHEMBL1227801 0.82 TSHR (0.44) MAPK1PTGS2ALDH1A1SMN1; SMN2KCNQ2
SCHEMBL1226526 0.81 PTGS2 (0.38) MAPK1PTGS2ALDH1A1MCHR1TSHR
SCHEMBL1227916 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL1227596 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL1227725 0.81 LMNA (0.47) ALDH1A1SMN1; SMN2KCNQ2TSHRLMNA
SCHEMBL1228037 0.81 NPSR1 (0.43) MAPK1PTGS2ALDH1A1SMN1; SMN2TSHR

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 MAPK1 2348/4885PTGS2 1901/4885ALDH1A1 3260/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 MAPK1 2348/4885PTGS2 1901/4885ALDH1A1 3260/4885

“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.