SCHEMBL427651

SCHEMBL427651

N#Cc1ccc(Oc2ccc(-c3ncn(C(=O)N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
EGLN1 Q9GZT9 1/20 0.43
EIF4E P06730 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SCN9A Q15858 3/20 0.42
FPR2 P25090 1/20 0.40
BCHE P06276 1/20 0.40
LIPE Q05469 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL426876 0.86 POLB (0.44) ALDH1A1HRH1HRH3PARP10LMNA
SCHEMBL426880 0.85 SCN9A (0.42) ALDH1A1KDM4EHRH3SCN9AFPR2
SCHEMBL425575 0.82 BCHE (0.56) ALDH1A1KDM4EBCHELIPELMNA
SCHEMBL425576 0.78 LIPE (0.56) ALDH1A1KDM4EBCHELIPELMNA
SCHEMBL427298 0.78 TSHR (0.51) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL425561 0.77 MGLL (0.46) KDM4ESCN9AFPR2PARP15PARP10
SCHEMBL7890316 0.76 AKR1C3 (0.45) ALDH1A1PARP10LMNANPC1TP53
SCHEMBL424557 0.76 PARP10 (0.45) PARP15PARP10PARP2NPC1RAB9A
SCHEMBL425711 0.73 AKR1C3 (0.49) NPC1
SCHEMBL426884 0.71 PARP10 (0.56) ALDH1A1KDM4EPARP10LMNANPC1

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 7 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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 SCN7A 1980/4885KCNH2 1739/4885CYP11B1 1069/4885

“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.