SCHEMBL5630199

SCHEMBL5630199

CO/C=C(/C(=O)O)c1ccccc1COc1nc(-c2cccnc2)sc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP1 Q9C000 1/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL5630208 1.00 KDM4E (0.47) KDM4EALDH1A1MAPTHRH3MEN1
SCHEMBL5743957 0.92 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHRH3MEN1
SCHEMBL5629297 0.90 MEN1 (0.50) KDM4EALDH1A1MAPTHRH3MEN1
SCHEMBL5629311 0.90 MEN1 (0.50) KDM4EALDH1A1MAPTHRH3MEN1
SCHEMBL5628074 0.85 HRH3 (0.47) MAPTHRH3MEN1KMT2ARARB
SCHEMBL5628088 0.85 HRH3 (0.47) MAPTHRH3MEN1KMT2ARARB
SCHEMBL5630081 0.84 KMT2A (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5630069 0.84 KMT2A (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5743962 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHRH3MEN1
SCHEMBL5741743 0.81 MEN1 (0.47) KDM4EALDH1A1MAPTHRH3MEN1

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 KDM4E 3501/4885ALDH1A1 362/4885MAPT 1750/4885

“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.