SCHEMBL4515525

SCHEMBL4515525

NC(=S)NC1C=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
IDO1 P14902 1/20 0.33
HTR2A P28223 3/20 0.32
TP53 P04637 1/20 0.32
TYR P14679 1/20 0.32
TSHR P16473 1/20 0.32
TAS2R38 P59533 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
RET P07949 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL4515519 0.83 IDO1 (0.33) ALDH1A1IDO1MAPTHDAC4HDAC7
SCHEMBL7756707 0.71 HDAC4 (0.34) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL3072198 0.69 ALDH1A1 (0.44) ALDH1A1GAAHTR2ATSHRMEN1
SCHEMBL31276808 0.69 HTR2A (0.35) ALDH1A1GAAHTR2ATSHRMAPT
SCHEMBL4440305 0.69 HTR2A (0.35) ALDH1A1GAAHTR2ATSHRMAPT
SCHEMBL4925778 0.69 HTR2A (0.45) IDO1HTR2ARETHTR2CHRH1
SCHEMBL11117723 0.68 ATM (0.36) ALDH1A1GAAHTR2ATP53TSHR
SCHEMBL3428492 0.67 IDO1 (0.59) IDO1MEN1KMT2AMAPT
SCHEMBL29464011 0.67 MEN1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL29464010 0.67 MEN1 (0.51) ALDH1A1MEN1KMT2A

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ALDH1A1 2810/4885GAA 1719/4885IDO1 2653/4885

“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.