SCHEMBL5629617

SCHEMBL5629617

CNC(=O)C(=NOC)c1ccccc1COc1nc(-c2cccnc2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
HIF1A Q16665 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.39
HRH3 Q9Y5N1 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5629612 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5630106 0.90 HRH3 (0.46) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL5630092 0.90 HRH3 (0.46) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL5627917 0.85 KMT2A (0.46) KDM4EALDH1A1MAPTHIF1ALMNA
SCHEMBL5627928 0.85 KMT2A (0.46) KDM4EALDH1A1MAPTHIF1ALMNA
SCHEMBL5629678 0.80 TRPM8 (0.46) ALDH1A1MAPTCYP1A2HIF1ALMNA
SCHEMBL5629683 0.80 TRPM8 (0.46) ALDH1A1MAPTCYP1A2HIF1ALMNA
SCHEMBL5626984 0.80 HIF1A (0.42) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL5626973 0.80 HIF1A (0.42) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL5743962 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US claimed
US-7166620-B2 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2007-01-23 US 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.