SCHEMBL3606589

SCHEMBL3606589

OC(=S)Nc1cccc2c1-c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN13 Q12923 1/20 0.38
CDK4 P11802 1/20 0.38
CCND2 P30279 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
TAS2R38 P59533 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4503145 0.82 HSD17B10 (0.40) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL4503147 0.82 L3MBTL1 (0.53) HSD17B10CYP1A2MAOASMN1; SMN2ALDH1A1
SCHEMBL3606587 0.82 HSD17B10 (0.43) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL3611245 0.80 HSD17B10 (0.51) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL3611242 0.76 HSD17B10 (0.47) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL6541790 0.73 CYP1A2 (0.43) HSD17B10CYP1A2PTPRCPTPN13CDK4
SCHEMBL7568552 0.70 ALDH1A1 (0.43) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL10495494 0.70 MAPT (0.35) HSD17B10CYP1A2MAOAPTPRCPTPN13
SCHEMBL3609938 0.69 KDM4E (0.60) HSD17B10CYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL6557517 0.68 HPGD (0.63) HSD17B10CYP1A2PTPRCPTPN13SMN1; SMN2

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 HSD17B10 1454/4885CYP1A2 1208/4885MAOA 2256/4885

“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.