SCHEMBL5758443

SCHEMBL5758443

COc1c(-c2cccs2)ccc2o[c]nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
ERN1 O75460 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PDE4C Q08493 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
TDO2 P48775 2/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL7761892 0.77 TDO2 (0.38) MAOBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7112234 0.76 CLK4 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18133657 0.75 ERN1 (0.50) MAOBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7214449 0.71 ERN1 (0.46) MAOBALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL27601843 0.68 ERN1 (0.55) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL7105969 0.68 NPC1 (0.40) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL28672054 0.65 SMN1; SMN2 (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL8864220 0.64 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL940312 0.63 NQO2 (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL6067986 0.63 ERN1 (0.52) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA

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
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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 (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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 MAOB 4492/4885ALDH1A1 2265/4885KDM4E 3877/4885

“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.