SCHEMBL425699

SCHEMBL425699

CC1(C)COCN1C(=O)n1cnc(-c2cccc(Oc3ccc(C(N)=O)cc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 14/20 0.41
PARP14 Q460N5 11/20 0.41
PARP15 Q460N3 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CHEK2 O96017 4/20 0.36
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP16 Q8N5Y8 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL424515 0.91 PARP10 (0.38) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL424557 0.81 PARP10 (0.45) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL427872 0.79 ALDH1A1 (0.36) ALDH1A1KMT2AHDAC1HDAC6
SCHEMBL427029 0.75 PARP10 (0.62) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL427021 0.74 PRMT5 (0.49) PARP10PARP14PARP15TNKSTNKS2
SCHEMBL426016 0.70 MAP4K4 (0.42) ALDH1A1
SCHEMBL426880 0.70 SCN9A (0.42) PARP10PARP14PARP15ALDH1A1KMT2A
SCHEMBL426879 0.66 PARP10 (0.47) PARP10PARP14PARP15ALDH1A1KMT2A
SCHEMBL426884 0.65 PARP10 (0.56) PARP10PARP14CHEK2PARP1ALDH1A1
SCHEMBL425582 0.63 PARP10 (0.47) PARP10PARP14PARP15CHEK2ALDH1A1

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 1577/4885PARP15 1199/4885

“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.