SCHEMBL1046909

SCHEMBL1046909

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CSc3cccc4cccnc34)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.40
CCR1 P32246 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1045128 0.89 GAA (0.42) KDM4ETSHRGAACCR1CYP1A2
SCHEMBL1046910 0.87 GAA (0.40) KDM4EALDH1A1TSHRGAACCR1
SCHEMBL27975032 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1046922 0.86 GAA (0.40) ALDH1A1HPGDTSHRGAACCR1
SCHEMBL1047598 0.85 GAA (0.39) KDM4ETSHRGAACCR1CYP1A2
SCHEMBL27975034 0.84 L3MBTL1 (0.34) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1774525 0.81 GAA (0.43) KDM4ETSHRGAACCR1CYP1A2
SCHEMBL13523714 0.81 GAA (0.50) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL1046923 0.81 GAA (0.40) KDM4ETSHRGAACCR1CYP1A2
SCHEMBL1270565 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP 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 (3 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-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG KDM4E 2882/4885ALDH1A1 693/4885HPGD 1956/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG KDM4E 2882/4885ALDH1A1 693/4885HPGD 1956/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG KDM4E 2882/4885ALDH1A1 693/4885HPGD 1956/4885

“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.