SCHEMBL426672

SCHEMBL426672

O=C(Nc1ccc(-c2ccccc2)cc1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KMT2A Q03164 5/20 0.57
NPC1 O15118 3/20 0.57
SCN4A P35499 2/20 0.49
PTPN1 P18031 2/20 0.47
PTPN11 Q06124 1/20 0.47
SCN9A Q15858 1/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.44
OGT O15294 1/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL426687 0.97 ALDH1A1 (0.69) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL427240 0.94 SMN1; SMN2 (0.68) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL424289 0.90 RAB9A (0.58) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL427247 0.88 SCN4A (0.64) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL427395 0.86 RAB9A (0.58) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL14028454 0.82 RAB9A (1.00) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL22246679 0.82 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL427254 0.82 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL22341331 0.77 SCN4A (0.55) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL15718479 0.75 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1

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 ALDH1A1 294/4885RAB9A 2266/4885SMN1; SMN2 2818/4885

“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.