SCHEMBL424557

SCHEMBL424557

NC(=O)c1ccc(Oc2cccc(-c3ncn(C(=O)N4CCOCC4)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 14/20 0.45
PARP14 Q460N5 11/20 0.45
TNKS O95271 1/20 0.44
PARP15 Q460N3 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43
RAB9A P51151 2/20 0.42
EPHX1 P07099 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL426880 0.90 SCN9A (0.42) PARP10PARP14PARP15HSD17B10RAB9A
SCHEMBL427029 0.88 PARP10 (0.62) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL427021 0.83 PRMT5 (0.49) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL425699 0.81 PARP10 (0.41) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL426884 0.78 PARP10 (0.56) PARP10PARP14HSD17B10PARP1MEN1
SCHEMBL427298 0.77 TSHR (0.51) HSD17B10RAB9ANPC1KMT2A
SCHEMBL427651 0.76 SCN7A (0.48) PARP10PARP15PARP2RAB9ANPC1
SCHEMBL425575 0.74 BCHE (0.56) HSD17B10RAB9AMEN1NPC1POLB
SCHEMBL425576 0.70 LIPE (0.56) HSD17B10RAB9AMEN1NPC1POLB
SCHEMBL424515 0.69 PARP10 (0.38) PARP10PARP14TNKSPARP15TNKS2

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 PARP10 1582/4885PARP14 1577/4885TNKS 1595/4885

“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.