SCHEMBL4512373

SCHEMBL4512373

NC(=S)NC1=CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
TAS2R38 P59533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALOX12 P18054 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL4512370 0.84 CYP1A2 (0.37) CYP1A2CYP3A4HTR6
SCHEMBL3610245 0.76 HTR6 (0.37) ALDH1A1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL3610251 0.76 SMN1; SMN2 (0.36) TP53TSHRHSD17B10GAACYP1A2
SCHEMBL5042357 0.75 NPC1 (0.47) ALDH1A1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL31465075 0.75 NPC1 (0.47) ALDH1A1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL6830269 0.72 PKM (0.41) ALDH1A1TP53TSHRHSD17B10L3MBTL1
SCHEMBL28493380 0.71 HTR6 (0.41) TP53TSHRKMT2AMEN1CYP1A2
SCHEMBL30567338 0.68 EPHX2 (0.42) KMT2AGAAMEN1
SCHEMBL6826687 0.68 ALDH1A1 (0.40) ALDH1A1TSHRKMT2AHTR6
SCHEMBL4771351 0.67 CYP1A2 (0.35) ALDH1A1TP53L3MBTL1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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 2810/4885TP53 333/4885TYR 1357/4885

“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.