SCHEMBL426880

SCHEMBL426880

NC(=O)c1ccc(Oc2ccc(-c3ncn(C(=O)N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
PARP10 Q53GL7 6/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP15 Q460N3 2/20 0.42
KMT2A Q03164 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
FPR2 P25090 1/20 0.42
BCHE P06276 2/20 0.41
LIPE Q05469 2/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
USP2 O75604 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
PARP3 Q9Y6F1 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL424557 0.90 PARP10 (0.45) PARP10PARP15KMT2APARP14NPC1
SCHEMBL426884 0.85 PARP10 (0.56) PARP10ALDH1A1KMT2APARP14USP2
SCHEMBL427651 0.85 SCN7A (0.48) SCN9APARP10ALDH1A1PARP15FPR2
SCHEMBL425575 0.84 BCHE (0.56) ALDH1A1KMT2ABCHELIPEUSP2
SCHEMBL425576 0.80 LIPE (0.56) ALDH1A1KMT2ABCHELIPEPIK3CA
SCHEMBL427298 0.80 TSHR (0.51) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL424515 0.78 PARP10 (0.38) PARP10ALDH1A1PARP15KMT2APARP14
SCHEMBL427029 0.77 PARP10 (0.62) PARP10PARP15KMT2APARP14
SCHEMBL426879 0.75 PARP10 (0.47) PARP10ALDH1A1PARP15KMT2APARP14
SCHEMBL425711 0.75 AKR1C3 (0.49) PIK3CANPC1MTOR

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 6 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

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 SCN9A 1563/4885PARP10 1582/4885ALDH1A1 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.