SCHEMBL426876

SCHEMBL426876

N#Cc1ccc(Oc2ccc(-c3ncn(C(=O)N4CCN(c5ccccc5)CC4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
FAAH O00519 2/20 0.44
MGLL Q99685 1/20 0.44
SLC6A7 Q99884 3/20 0.43
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TP53 P04637 2/20 0.42
KCNA5 P22460 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HTT P42858 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7890316 0.90 AKR1C3 (0.45) POLBFAAHMGLLSLC6A7PARP14
SCHEMBL426884 0.86 PARP10 (0.56) POLBFAAHMGLLSLC6A7PARP14
SCHEMBL427651 0.86 SCN7A (0.48) PARP10TP53HRH1HRH3ALDH1A1
SCHEMBL425498 0.83 FAAH (0.58) POLBFAAHMGLLSLC6A7TSHR
SCHEMBL427029 0.78 PARP10 (0.62) FAAHMGLLSLC6A7PARP14PARP10
SCHEMBL427033 0.73 MAPK1 (0.60) TP53MAPTNPSR1MEN1KMT2A
SCHEMBL425561 0.73 MGLL (0.46) POLBMGLLPARP10MAPTMEN1
SCHEMBL426880 0.71 SCN9A (0.42) PARP14PARP10TP53USP2KMT2A
SCHEMBL424466 0.71 FAAH (0.55) FAAHTP53NPSR1MEN1KMT2A
SCHEMBL427654 0.70 LMNA (0.53) POLBFAAHMGLLTSHRMAPT

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 POLB 2792/4885FAAH 1/4885MGLL 11/4885

“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.