SCHEMBL5629396

SCHEMBL5629396

CO/C=C(/C(=O)O)c1ccccc1COc1nc(C2CC2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.35
MAPT P10636 2/20 0.34
HCRTR1 O43613 3/20 0.33
FFAR1 O14842 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5629403 1.00 HCRTR2 (0.35) HCRTR2MAPTHCRTR1FFAR1ALDH1A1
SCHEMBL5628822 0.81 MRGPRX4 (0.33) FFAR1
SCHEMBL5630783 0.81 RECQL (0.31) HRH3
SCHEMBL5628832 0.81 MRGPRX4 (0.33) FFAR1
SCHEMBL5630779 0.81 RECQL (0.31) HRH3
SCHEMBL5628394 0.80 OPRL1 (0.31) HCRTR2HCRTR1
SCHEMBL5628406 0.80 OPRL1 (0.31) HCRTR2HCRTR1
SCHEMBL5630081 0.80 KMT2A (0.48) MAPTALDH1A1
SCHEMBL5627389 0.80 OPRL1 (0.31)
SCHEMBL5629297 0.80 MEN1 (0.50) MAPTALDH1A1POLBHRH3

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-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 HCRTR2 3938/4885MAPT 1750/4885HCRTR1 3753/4885

“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.