SCHEMBL425651

SCHEMBL425651

CN(Cc1ccccc1)C(=O)n1cnc(-c2cccc3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2C P28335 1/20 0.40
TSPO P30536 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 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
SCHEMBL424517 0.82 SMN1; SMN2 (0.42) MEN1KMT2AHTR2CALDH1A1
SCHEMBL427450 0.80 TRPV1 (0.48) APOBEC3AMEN1KMT2AALDH1A1NPC1
SCHEMBL426863 0.76 HDAC1 (0.44) APOBEC3AMEN1KMT2AALDH1A1NPC1
SCHEMBL427653 0.71 PARP10 (0.44) APOBEC3AMEN1KMT2AALDH1A1
SCHEMBL28108134 0.67 NPSR1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL18485411 0.66 KMT2A (0.43) KMT2ATSPOALDH1A1NPC1RAB9A
SCHEMBL2179538 0.65 BCHE (0.48) MEN1KMT2AALDH1A1
SCHEMBL18485414 0.65 L3MBTL1 (0.54) MEN1KMT2ATSPOALDH1A1NPC1
SCHEMBL24937837 0.65 NPC1 (0.49) APOBEC3AMEN1KMT2ATSPOALDH1A1
SCHEMBL5648204 0.65 CYP1A2 (0.51) APOBEC3AMEN1KMT2ANPC1RAB9A

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 APOBEC3A 1832/4885MEN1 2893/4885KMT2A 2067/4885

“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.