SCHEMBL5956650

SCHEMBL5956650

COC(=O)c1ccc2c(c1)SCCCC2N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
ALOX15 P16050 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL5956843 0.92 MEN1 (0.50) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956816 0.92 MEN1 (0.50) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956819 0.92 MEN1 (0.50) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956755 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956597 0.80 MEN1 (0.51) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956603 0.80 MEN1 (0.51) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956762 0.80 MEN1 (0.51) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5956791 0.77 ACHE (0.46) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL4439857 0.76 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4439850 0.76 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ALDH1A1 2624/4885KDM4E 1686/4885HSD17B10 1850/4885

“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.