SCHEMBL5222036

SCHEMBL5222036

Cn1nnnc1SCc1ccccc1C(=O)OC1=CC(=O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
ELANE P08246 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL5182392 0.88 PKM (0.46) CYP1A2CYP2C19ALDH1A1LMNATSHR
SCHEMBL5182662 0.87 MAPT (0.48) ALDH1A1LMNAGAATSHRL3MBTL1
SCHEMBL5183669 0.85 GLA (0.39) CYP1A2CYP2C19ALDH1A1LMNANPSR1
SCHEMBL5184258 0.81 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5184126 0.81 ALDH1A1 (0.52) CYP1A2CYP2C19ALDH1A1LMNATSHR
SCHEMBL5182881 0.81 ALDH1A1 (0.45) CYP1A2CYP2C19ALDH1A1LMNAGAA
SCHEMBL5183754 0.81 ALDH1A1 (0.45) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL5182758 0.80 ALDH1A1 (0.37) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5183841 0.79 ALDH1A1 (0.39) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL5182777 0.79 SMN1; SMN2 (0.40) ALDH1A1LMNAL3MBTL1POLBMEN1

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
EP-1301492-B1 NOVEL TETRAZOLE DERIVATIVES BAYER CROPSCIENCE KK (JP) 2007-07-04 EP disclosed
US-6770599-B2 Tetrazole derivatives BAYER CROPSCIENCE KK (JP) 2004-08-03 US disclosed
US-20030224943-A1 Novel tetrazole derivatives BAYER CROPSCIENCE K. K. (JP) 2003-12-04 US disclosed
EP-1301492-A1 NOVEL TETRAZOLE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2003-04-16 EP disclosed
WO-2002002536-A1 NOVEL TETRAZOLE DERIVATIVES BAYER CROPSCIENCE K.K. (DE) 2002-01-10 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-20030224943-A1 Novel tetrazole derivatives CBR3, CBR1, ECH1 CYP1A2 220/4885CYP2C19 823/4885ALDH1A1 783/4885

“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.