SCHEMBL20068056

SCHEMBL20068056

COc1cccc(C=O)c1OCc1nc(=O)s[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.43
SRC P12931 1/20 0.43
GSK3A P49840 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CA9 Q16790 1/20 0.40
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
PDE4B Q07343 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL20150495 0.79 NPC1 (0.48) NPC1RAB9AKMT2ASRCGSK3A
SCHEMBL10900536 0.77 NPC1 (0.54) NPC1RAB9AKMT2ASRCTDP1
SCHEMBL20068057 0.76 ACMSD (0.58) KMT2AGSK3ATDP1KDM4EALDH1A1
SCHEMBL20138015 0.76 ACMSD (0.58) KMT2AGSK3ATDP1KDM4EALDH1A1
SCHEMBL20137819 0.76 SRC (0.48) NPC1RAB9AKMT2ASRCGSK3A
SCHEMBL20150703 0.75 NPC1 (0.47) NPC1RAB9AKMT2ASRCGSK3A
SCHEMBL28129638 0.75 KDM4E (0.60) NPC1RAB9ASRCKDM4EERN1
SCHEMBL1125006 0.75 KDM4E (0.60) NPC1RAB9ASRCKDM4EERN1
SCHEMBL636851 0.72 NPC1 (0.57) NPC1RAB9ASRCKDM4EALDH1A1
SCHEMBL1125257 0.72 SRC (0.58) NPC1RAB9AKMT2ASRCGSK3A

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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 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 (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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885KMT2A 1353/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885KMT2A 1353/4885

“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.