SCHEMBL3273293

SCHEMBL3273293

O=C(Nc1ccccc1)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.42
CASP3 P42574 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RORA P35398 1/20 0.39
RORC P51449 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
SCHEMBL11238457 0.66 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL27723986 0.65 NPC1 (0.52) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL7621355 0.64 RARA (0.82) KMT2AMEN1ALDH1A1RORARORC
SCHEMBL8522186 0.64 RARA (0.68) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL25206719 0.64 NPC1 (0.60) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4450882 0.64 NPC1 (0.50) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL6108965 0.64 NPC1 (0.56) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL1315526 0.63 PTPN1 (0.87) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL2371980 0.63 BACE1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL8374911 0.62 HDAC1 (0.85) RAB9ANPC1SMN1; SMN2PKMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP RAB9A 1822/4885NPC1 1054/4885SMN1; SMN2 2585/4885

“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.