SCHEMBL425399

SCHEMBL425399

COc1ccc(N(C)C(=O)n2cnc(-c3ccc4ccccc4c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ACHE P22303 1/20 0.43
LIPE Q05469 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL426694 0.90 ACHE (0.49) RAB9ANPC1ACHELIPEALDH1A1
SCHEMBL425535 0.90 FAAH (0.49) RAB9ANPC1ACHELIPEKDM4E
SCHEMBL425544 0.90 FAAH (0.52) ACHELIPEALDH1A1NPSR1MAPT
SCHEMBL425556 0.85 L3MBTL1 (0.43) ACHELIPEMAPTFAAHLMNA
SCHEMBL425409 0.82 HSD17B2 (0.50) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL427476 0.78 FAAH (0.57) RAB9AACHELIPEKDM4ESMN1; SMN2
SCHEMBL425371 0.78 FAAH (0.60) RAB9ANPC1ACHELIPEKDM4E
SCHEMBL426698 0.76 FAAH (0.52) RAB9ANPC1ACHELIPEKDM4E
SCHEMBL425550 0.75 FAAH (0.51) KDM4ESMN1; SMN2MAPTKMT2AFAAH
SCHEMBL425400 0.75 FAAH (0.54) ACHELIPEALDH1A1SMN1; SMN2MAPT

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 4 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-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 2266/4885NPC1 446/4885ACHE 167/4885

“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.