SCHEMBL14788103

SCHEMBL14788103

CC(=O)Nc1sc2cnccc2c1C1=Nc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 13/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ LIMK1 P53667 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL14788096 0.74 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL13735857 0.73 POLB (0.58) MYCKDM4EHTT
SCHEMBL13833778 0.64 POLB (0.58) MYCKDM4EHTT
SCHEMBL5021700 0.60 NOS3 (0.46) KDM4EALDH1A1GAA
SCHEMBL12541845 0.59 TRPA1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL13833660 0.59 MAPT (0.66) KDM4EGAAHTT
SCHEMBL3193754 0.58 MAPT (0.48) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL12541807 0.58 NOS3 (0.38) KDM4EALDH1A1GLAGAA
SCHEMBL12541873 0.57 KDM4E (0.48) KDM4EALDH1A1GAAHPGD
SCHEMBL13356491 0.57 NOS3 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 — — 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP MYC 3701/4885KDM4E 3155/4885ALDH1A1 2924/4885

“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.

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