SCHEMBL4515519

SCHEMBL4515519

[NH]C(=S)NC1C=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL4515525 0.83 ALDH1A1 (0.33) IDO1ALDH1A1MAPTHDAC4HDAC7
SCHEMBL7756707 0.71 HDAC4 (0.34) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL4504652 0.69 HDAC4 (0.35) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL4440305 0.69 HTR2A (0.35) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL31276808 0.69 HTR2A (0.35) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL11117723 0.68 ATM (0.36) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL22139620 0.66
SCHEMBL4512600 0.66 ALDH1A1 (0.60) ALDH1A1
SCHEMBL8849849 0.65 HTR2A (0.36) ALDH1A1MAPT
SCHEMBL2525691 0.65 HTR2A (0.35) ALDH1A1MAPTHDAC4HDAC7HDAC5

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 IDO1 2653/4885ALDH1A1 2810/4885MAPT 156/4885

“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.