SCHEMBL2869800

SCHEMBL2869800

COC(=O)c1cc2[nH]c(-c3ccc(OCc4ccccc4)cc3NC(=O)CCl)c(-c3ccccc3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BTK Q06187 1/20 0.36
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
NR4A2 P43354 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LTA4H P09960 1/20 0.34
PLA2G2A P14555 1/20 0.34
GSK3B P49841 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 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
SCHEMBL2859156 0.86 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2860807 0.86 CSNK2A2 (0.40) PPARGALDH1A1MAPTKDM4EMAPK1
SCHEMBL2869794 0.85 SMN1; SMN2 (0.35) MEN1KMT2ABTKSMN1; SMN2NPC1
SCHEMBL2873096 0.85 PPARG (0.38) PPARGALDH1A1MAPTKDM4EMAPK1
SCHEMBL2987902 0.74 LMNA (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL427004 0.74 PPARG (0.47) MEN1KMT2APPARGSMN1; SMN2NPC1
SCHEMBL13476662 0.73 HTT (0.33) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2156447 0.73 RAF1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2868302 0.72 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2157797 0.71 LMNA (0.37) MEN1KMT2APPARGSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 MEN1 4852/4885KMT2A 2063/4885BTK 959/4885

“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.