SCHEMBL427078

SCHEMBL427078

COc1cccc(-c2cn(C(=O)N(Cc3ccccc3)C(C)C)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.49
FAAH O00519 2/20 0.45
ROCK2 O75116 1/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B2 P37059 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
LTB4R Q15722 1/20 0.43
MEN1 O00255 1/20 0.41
CSF1R P07333 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL443278 0.89 FAAH (0.54) FAAHKMT2AATMTP53TSHR
SCHEMBL427539 0.86 FAAH (0.47) FAAHKMT2AHSD17B2ATMMAPK1
SCHEMBL427524 0.84 HSD17B2 (0.46) FAAHKMT2AHSD17B2TP53CYP1A2
SCHEMBL427826 0.81 FAAH (0.49) FAAHKMT2AATMTSHRMAPK1
SCHEMBL425409 0.79 HSD17B2 (0.50) FAAHKMT2AHSD17B2TP53
SCHEMBL16433071 0.78 STIM1 (0.48) KMT2ATP53HSD17B10CLK4MEN1
SCHEMBL14946883 0.76 ALDH1A1 (0.50) KMT2ATP53TSHRMAPK1LTB4R
SCHEMBL428100 0.75 WNK1 (0.53) FAAHKMT2AHSD17B10MEN1
SCHEMBL14938203 0.72 TSHR (0.44) WDR5FAAHHSD17B2TP53CYP1A2
SCHEMBL427155 0.72 FAAH (0.62) WDR5FAAHKMT2ATP53TSHR

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 6 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-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
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 WDR5 3789/4885FAAH 1/4885ROCK2 3184/4885

“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.