SCHEMBL5629311

SCHEMBL5629311

COC=C(C(=O)O)c1ccccc1COc1nc(-c2ccncc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NLRP1 Q9C000 1/20 0.50
HRH3 Q9Y5N1 9/20 0.46
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
KLK7 P49862 1/20 0.41
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
CDC7 O00311 3/20 0.41
DBF4 Q9UBU7 3/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL5629297 1.00 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5741743 0.91 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630208 0.90 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630199 0.90 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5628088 0.90 HRH3 (0.47) MEN1KMT2AHRH3MAPTPOLB
SCHEMBL5628074 0.90 HRH3 (0.47) MEN1KMT2AHRH3MAPTPOLB
SCHEMBL5630069 0.86 KMT2A (0.48) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630081 0.86 KMT2A (0.48) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5741744 0.83 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5743957 0.81 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1NLRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US claimed
EP-1453817-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2004-09-08 EP claimed
WO-2003050096-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2003-06-19 WO claimed
US-7166620-B2 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2007-01-23 US disclosed
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP disclosed
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US disclosed
EP-1453817-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2004-09-08 EP disclosed
WO-2003050096-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2003-06-19 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-20050065197-A1 Thiazole derivatives with fungicidal activity CYP51A1, DPM1, GMDS MEN1 1898/4885KMT2A 3653/4885KDM4E 3501/4885

“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.