SCHEMBL4164843

SCHEMBL4164843

COC(=O)c1ccc2c(C(N)=O)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
NR4A2 P43354 7/20 0.58
ASH1L Q9NR48 1/20 0.57
ALDH1A1 P00352 2/20 0.51
ATM Q13315 2/20 0.51
CREBBP Q92793 1/20 0.51
KIF11 P52732 1/20 0.51
JAK2 O60674 1/20 0.48
RAB9A P51151 2/20 0.48
PARP1 P09874 1/20 0.48
EIF2AK2 P19525 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL6418495 0.89 NR4A2 (0.72) NPC1NR4A2ASH1LALDH1A1ATM
SCHEMBL23551106 0.89 NPC1 (0.60) NPC1NR4A2ASH1LALDH1A1ATM
SCHEMBL3734053 0.88 NR4A2 (0.58) NPC1NR4A2ASH1LALDH1A1ATM
SCHEMBL4780495 0.88 NPC1 (0.66) NPC1NR4A2ASH1LCREBBPKIF11
SCHEMBL30899481 0.88 NPC1 (0.66) NPC1NR4A2ASH1LCREBBPKIF11
SCHEMBL2493105 0.87 NPC1 (0.64) NPC1NR4A2ASH1LALDH1A1CREBBP
SCHEMBL30697204 0.87 NPC1 (0.64) NPC1NR4A2ASH1LALDH1A1CREBBP
SCHEMBL6332786 0.84 NPC1 (0.61) NPC1NR4A2ASH1LCREBBPKIF11
SCHEMBL3243814 0.83 MAPT (0.67) NPC1NR4A2ASH1LALDH1A1CREBBP
SCHEMBL23551205 0.83 NPC1 (0.60) NPC1NR4A2ASH1LCREBBPKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION 2009-02-12 US disclosed
US-7468446-B2 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION (US) 2008-12-23 US disclosed
EP-1794139-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-13 EP disclosed
WO-2006028963-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-16 WO disclosed
US-20060052596-A1 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION 2006-03-09 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 (2 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-20060052596-A1 Substituted heterocyclic compounds and uses thereof NQO1, LTC4S, VHL NPC1 844/4885NR4A2 2159/4885ASH1L 2505/4885
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF NQO1, LTC4S, VHL NPC1 844/4885NR4A2 2159/4885ASH1L 2505/4885

“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.