SCHEMBL424515

SCHEMBL424515

CC1(C)COCN1C(=O)n1cnc(-c2ccc(Oc3ccc(C(N)=O)cc3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.38
PARP15 Q460N3 4/20 0.38
PARP14 Q460N5 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
PARP3 Q9Y6F1 1/20 0.36
CHEK2 O96017 3/20 0.33
XPO1 O14980 1/20 0.33
TNK2 Q07912 1/20 0.33
CNR2 P34972 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL425699 0.91 PARP10 (0.41) PARP10PARP15PARP14KMT2AALDH1A1
SCHEMBL425854 0.86 KMT2A (0.40) KMT2AALDH1A1CNR2KDM4EMEN1
SCHEMBL427872 0.82 ALDH1A1 (0.36) KMT2AALDH1A1CNR2KDM4EMAPT
SCHEMBL426880 0.78 SCN9A (0.42) PARP10PARP15PARP14KMT2AALDH1A1
SCHEMBL426879 0.74 PARP10 (0.47) PARP10PARP15PARP14KMT2AALDH1A1
SCHEMBL426016 0.74 MAP4K4 (0.42) ALDH1A1CNR2MAP4K4KDM4ESMN1; SMN2
SCHEMBL426884 0.71 PARP10 (0.56) PARP10PARP14KMT2AALDH1A1CHEK2
SCHEMBL424504 0.70 CNR2 (0.39) CNR2
SCHEMBL424557 0.69 PARP10 (0.45) PARP10PARP15PARP14KMT2APARP2
SCHEMBL425582 0.69 PARP10 (0.47) PARP10PARP15PARP14KMT2AALDH1A1

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 1582/4885PARP15 1199/4885PARP14 1577/4885

“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.