SCHEMBL8864706

SCHEMBL8864706

COc1cc(SC)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1B1 Q16678 3/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
TUBB4A P04350 1/20 0.40

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
SCHEMBL2894292 0.83 LMNA (0.47) GAACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL3511079 0.80 CYP1A1 (0.50) GAACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL22790514 0.79 KDM4E (0.37) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL10228011 0.77 AR (0.41) HPGDSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL26974116 0.77 AR (0.40) SMN1; SMN2LMNARAB9AL3MBTL1MAPK1
SCHEMBL8863279 0.77 L3MBTL1 (0.49) GAACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL23943599 0.76 LMNA (0.42) ALDH1A1LMNARAB9AKMT2AMAPK1
SCHEMBL1932921 0.75 GAA (0.46) GAACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL21843806 0.75 TUBB1 (0.38) GAACYP1A1CYP1A2CYP1B1HPGD
SCHEMBL11823150 0.75 ALDH1A1 (0.57) GAACYP1A1CYP1A2CYP1B1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 GAA 693/4885CYP1A1 4/4885CYP1A2 18/4885

“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.