SCHEMBL428043

SCHEMBL428043

COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1NC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
CES2 O00748 1/20 0.51
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
STK17B O94768 3/20 0.40
AAK1 Q2M2I8 2/20 0.40
GAA P10253 2/20 0.39
STK17A Q9UEE5 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DAPK3 O43293 1/20 0.37
DAPK2 Q9UIK4 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL424561 0.87 FAAH (0.59) FAAHCES2MEN1KMT2APOLB
SCHEMBL427870 0.86 FAAH (0.58) FAAHCES2POLBSTK17BAAK1
SCHEMBL425057 0.85 TSHR (0.46) KDM4ETSHR
SCHEMBL426110 0.85 FAAH (0.54) FAAHCES2KDM4EHSD17B10MEN1
SCHEMBL428175 0.84 FAAH (0.55) FAAHCES2MEN1KMT2APOLB
SCHEMBL424691 0.84 FAAH (0.56) FAAHCES2MEN1KMT2APOLB
SCHEMBL425833 0.82 FAAH (0.56) FAAHCES2KDM4EMEN1KMT2A
SCHEMBL425454 0.81 FAAH (0.59) FAAHCES2KDM4EHSD17B10POLB
SCHEMBL427888 0.81 FAAH (0.54) FAAHCES2MEN1KMT2APOLB
SCHEMBL427920 0.81 FAAH (0.55) FAAHCES2KDM4EMEN1KMT2A

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885KDM4E 1982/4885

“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.