SCHEMBL425952

SCHEMBL425952

CC(=O)Nc1ccc(-c2cccc(-c3cn(C(=O)N(C)C45CC6CC(CC(C6)C4)C5)cn3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
AOC3 Q16853 2/20 0.40
OGT O15294 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 2/20 0.38
CES2 O00748 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
POLB P06746 1/20 0.37
FYN P06241 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL427545 0.88 FAAH (0.47) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL427564 0.87 FAAH (0.40) AOC3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL427136 0.85 USP2 (0.44) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL425848 0.84 FAAH (0.41) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL424683 0.83 FAAH (0.41) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL425871 0.83 FAAH (0.51) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL425928 0.83 TSHR (0.43) AOC3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL424646 0.83 USP2 (0.43) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL427551 0.82 FAAH (0.42) ALDH1A1MEN1KMT2ANPSR1FAAH
SCHEMBL425847 0.82 FAAH (0.40) ALDH1A1MEN1KMT2ANPSR1FAAH

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 3 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

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 NPC1 446/4885AOC3 933/4885OGT 715/4885

“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.