SCHEMBL1831946

SCHEMBL1831946

O=C1[N]CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.44
HSD11B1 P28845 2/20 0.41
CYP19A1 P11511 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1831263 0.81 DDB1 (0.47) DDB1CRBNNPC1ALDH1A1RAB9A
SCHEMBL1830233 0.78 DDB1 (0.45) DDB1CRBNNPC1ALDH1A1RAB9A
SCHEMBL29013938 0.74 DDB1 (0.52) DDB1CRBNNPC1ALDH1A1RAB9A
SCHEMBL9053956 0.73 GBA1 (0.43) NPC1ALDH1A1RAB9AKMT2ACYP19A1
SCHEMBL8390561 0.73 GBA1 (0.43) NPC1ALDH1A1RAB9AKMT2ACYP19A1
SCHEMBL7268376 0.73 KMT2A (0.45) DDB1CRBNNPC1ALDH1A1RAB9A
SCHEMBL29016897 0.69 DDB1 (0.61) DDB1CRBNKMT2AMAOBHSD11B1
SCHEMBL8676314 0.69 DDB1 (0.51) DDB1CRBNALDH1A1MAOBHSD11B1
SCHEMBL19050135 0.69 DDB1 (0.51) DDB1CRBNALDH1A1MAOBHSD11B1
SCHEMBL927813 0.69 MAOB (0.49) DDB1CRBNNPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 DDB1 163/4885CRBN 2397/4885NPC1 2082/4885

“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.