SCHEMBL424289

SCHEMBL424289

COc1ccc(NC(=O)n2ccc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
POLB P06746 3/20 0.50
SCN4A P35499 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 2/20 0.49
MEN1 O00255 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
AURKA O14965 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL427395 0.97 RAB9A (0.58) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL426672 0.90 ALDH1A1 (0.69) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL427448 0.87 TRPV1 (0.58) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL426687 0.87 ALDH1A1 (0.69) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL427247 0.86 SCN4A (0.64) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL427240 0.84 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL427254 0.81 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL7055588 0.79 SCN4A (0.55) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL22246679 0.76 ALDH1A1 (0.54) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL6632002 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1

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