SCHEMBL427029

SCHEMBL427029

NC(=O)c1ccc(Oc2cccc(-c3ncn(C(=O)N4CCN(c5ccccc5)CC4)n3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.62
PARP14 Q460N5 11/20 0.62
PARP1 P09874 1/20 0.52
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
SLC6A7 Q99884 1/20 0.42
TNKS O95271 1/20 0.42
PARP15 Q460N3 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
FAAH O00519 3/20 0.42
MGLL Q99685 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD3 P35462 1/20 0.41
CHEK2 O96017 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
SCHEMBL426884 0.91 PARP10 (0.56) PARP10PARP14PARP1MAPTCRHBP
SCHEMBL424557 0.88 PARP10 (0.45) PARP10PARP14PARP1TNKSPARP15
SCHEMBL427021 0.83 PRMT5 (0.49) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL425498 0.81 FAAH (0.58) MAPTSLC6A7FAAHMGLLMEN1
SCHEMBL426876 0.78 POLB (0.44) PARP10PARP14MAPTCRHBPHTT
SCHEMBL7890316 0.78 AKR1C3 (0.45) PARP10PARP14MAPTHTTSLC6A7
SCHEMBL426880 0.77 SCN9A (0.42) PARP10PARP14PARP15KMT2A
SCHEMBL425699 0.75 PARP10 (0.41) PARP10PARP14PARP1TNKSPARP15
SCHEMBL4630328 0.70 PARP10 (0.65) PARP10PARP14PARP1TNKSPARP15
SCHEMBL425698 0.70 FAAH (0.50) MAPTHTTFAAHMGLLMEN1

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 PARP10 1582/4885PARP14 1577/4885PARP1 1720/4885

“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.