SCHEMBL1900893

SCHEMBL1900893

CCCC[Sn](CCCC)(CCCC)c1ccc(NC)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.38
NNMT P40261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
DEGS1 O15121 1/20 0.33
EPHX2 P34913 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL30991519 1.00 HCAR3 (0.38) HCAR3NNMTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1181436 0.85 HCAR3 (0.44) HCAR3SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL1181286 0.83 HCAR3 (0.42) HCAR3SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL5733237 0.80 PTK2 (0.49) HCAR3SMN1; SMN2GAARAB9ANPC1
SCHEMBL4560278 0.79 EPHX2 (0.46) HCAR3SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL1180521 0.77 GRM5 (0.33)
SCHEMBL1456734 0.77 MAPT (0.38) KDM4EMAPTHPGDL3MBTL1
SCHEMBL14120675 0.76 NPC1 (0.31) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL7003724 0.76 PTGS1 (0.30)
SCHEMBL3883160 0.76 DGAT1 (0.37) SMN1; SMN2KDM4EALDH1A1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 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 (1 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-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds OAT, HAVCR2, OTC HCAR3 1590/4885NNMT 137/4885SMN1; SMN2 4631/4885

“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.