SCHEMBL426879

SCHEMBL426879

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.47
PARP15 Q460N3 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
MGLL Q99685 10/20 0.47
SCN4A P35499 1/20 0.47
PARP3 Q9Y6F1 1/20 0.43
XPO1 O14980 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL425582 0.86 PARP10 (0.47) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL427653 0.84 PARP10 (0.44) PARP10ALDH1A1KMT2AMGLLSMN1; SMN2
SCHEMBL425561 0.83 MGLL (0.46) PARP10PARP15KMT2AMGLLSCN4A
SCHEMBL426880 0.75 SCN9A (0.42) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL424515 0.74 PARP10 (0.38) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL426884 0.72 PARP10 (0.56) PARP10ALDH1A1KMT2APARP14MGLL
SCHEMBL427640 0.70 KMT2A (0.43) KMT2AMGLL
SCHEMBL424347 0.69 LIPE (0.56) ALDH1A1KMT2AMGLLHPGDSMN1; SMN2
SCHEMBL3137816 0.69 PARP10 (1.00) PARP10PARP15ALDH1A1KMT2APARP14
SCHEMBL24124456 0.66 PARP10 (0.75) PARP10PARP15ALDH1A1KMT2APARP14

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 5 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
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 1582/4885PARP15 1199/4885ALDH1A1 294/4885

“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.