SCHEMBL14285657

SCHEMBL14285657

Cn1c(=O)c2c(nc(SCCCO)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
GAA P10253 2/20 0.78
HSD17B10 Q99714 1/20 0.78
BRAF P15056 2/20 0.77
PIK3CG P48736 1/20 0.77
LMNA P02545 3/20 0.70
NPSR1 Q6W5P4 2/20 0.67
MAPT P10636 2/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MAPK1 P28482 2/20 0.67
TP53 P04637 1/20 0.67
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
TSHR P16473 3/20 0.64
PLD3 Q8IV08 1/20 0.61
PCSK9 Q8NBP7 1/20 0.61

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
SCHEMBL16133944 0.87 BRAF (1.00) ALDH1A1GAAHSD17B10BRAFPIK3CG
SCHEMBL17522954 0.81 BRAF (0.81) ALDH1A1GAABRAFPIK3CGLMNA
SCHEMBL25522708 0.80 RXFP1 (0.74) ALDH1A1GAAHSD17B10LMNAMAOA
SCHEMBL16059176 0.80 LMNA (0.62) ALDH1A1GAABRAFPIK3CGLMNA
SCHEMBL8291374 0.79 PLD3 (0.81) ALDH1A1GAAHSD17B10BRAFPIK3CG
SCHEMBL16079515 0.78 ALDH1A1 (0.69) ALDH1A1GAAHSD17B10BRAFPIK3CG
SCHEMBL29517871 0.78 BRAF (0.76) ALDH1A1HSD17B10BRAFPIK3CGLMNA
SCHEMBL18834904 0.78 TSHR (0.83) ALDH1A1GAALMNANPSR1MAPT
SCHEMBL18834862 0.78 BRAF (0.63) ALDH1A1GAAHSD17B10BRAFPIK3CG
SCHEMBL19560418 0.77 ALDH1A1 (0.71) ALDH1A1GAAHSD17B10BRAFPIK3CG

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
US-20080015194-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph (US) 2008-01-17 US disclosed
US-20080015194-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph (US) 2008-01-17 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-20080015194-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT CD74, HAVCR2, CD47 ALDH1A1 3379/4885GAA 260/4885HSD17B10 2819/4885

“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.