SCHEMBL426863

SCHEMBL426863

CN(Cc1ccccc1)C(=O)n1cnc(-c2cccs2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
APOBEC3A P31941 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LIMK2 P53671 1/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL425651 0.76 APOBEC3A (0.43) APOBEC3AALDH1A1KMT2ANPC1RAB9A
SCHEMBL427450 0.76 TRPV1 (0.48) APOBEC3AALDH1A1KMT2ANPC1RAB9A
SCHEMBL424475 0.72 SMN1; SMN2 (0.53) HDAC1HDAC6ALDH1A1KDM4EKMT2A
SCHEMBL427653 0.72 PARP10 (0.44) APOBEC3AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL427654 0.67 LMNA (0.53) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL12190856 0.67 MEN1 (0.51) HDAC6ALDH1A1LIMK2KMT2AL3MBTL1
SCHEMBL16597337 0.66 KMT2A (0.59) HDAC1HDAC6ALDH1A1LIMK2KMT2A
SCHEMBL2179538 0.66 BCHE (0.48) HDAC1HDAC6ALDH1A1KMT2AMEN1
SCHEMBL24937837 0.65 NPC1 (0.49) APOBEC3AALDH1A1KMT2ANPC1RAB9A
SCHEMBL5648204 0.65 CYP1A2 (0.51) APOBEC3AKMT2ANPC1RAB9ACA12

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 HDAC1 538/4885HDAC6 278/4885APOBEC3A 1832/4885

“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.