SCHEMBL4503145

SCHEMBL4503145

[NH]C(=S)Nc1cccc2c1-c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN13 Q12923 1/20 0.37
CDK4 P11802 1/20 0.37
CCND2 P30279 1/20 0.37
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP3 P42574 2/20 0.33
PARP14 Q460N5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3606589 0.82 HSD17B10 (0.44) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL3606587 0.81 HSD17B10 (0.43) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL4503147 0.81 L3MBTL1 (0.53) HSD17B10CYP1A2MAOAALDH1A1SMN1; SMN2
SCHEMBL4516142 0.74 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL3611242 0.74 HSD17B10 (0.47) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL3611245 0.74 HSD17B10 (0.51) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL10495494 0.73 MAPT (0.35) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL6541790 0.72 CYP1A2 (0.43) HSD17B10CYP1A2PTPRCPTPN13CDK4
SCHEMBL4500674 0.71 KDM4E (0.58) HSD17B10CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8421703 0.69 NPC1 (0.57) ALDH1A1SMN1; SMN2KDM4EGAAHPGD

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 HSD17B10 2684/4885CYP1A2 1743/4885MAOA 2917/4885

“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.