SCHEMBL4512600

SCHEMBL4512600

[NH]C(=S)NC1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
EPHX1 P07099 1/20 0.57
TAS1R3 Q7RTX0 3/20 0.55
TAS1R1 Q7RTX1 3/20 0.55
TAS1R2 Q8TE23 2/20 0.55
LMNA P02545 1/20 0.55
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL8268103 0.84 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL3196481 0.84 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL29757862 0.84 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL29757861 0.84 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL6724993 0.83 HTT (0.63) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL10814631 0.81 HTT (0.60) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL1568062 0.79 KMT2A (0.71) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL9011724 0.79 HTT (0.75) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL3210483 0.78 ALDH1A1 (0.72) ALDH1A1HTTKMT2AMEN1EPHX1
SCHEMBL11746751 0.78 ALDH1A1 (0.72) ALDH1A1HTTKMT2AMEN1EPHX1

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 2810/4885HTT 1131/4885KMT2A 3194/4885

“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.