SCHEMBL15312972

SCHEMBL15312972

O=C(C=Cc1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
ALDH1A1 P00352 7/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 3/20 0.31
UBE2M P61081 2/20 0.31
DCUN1D1 Q96GG9 2/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRIN2B Q13224 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL2593802 1.00 PPARG (0.35) PPARGALDH1A1HPGDKDM4EGAA
SCHEMBL29677 0.83 CYP1A2 (0.34) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL15313010 0.81 PPARG (0.39) PPARGALDH1A1GAAUBE2MDCUN1D1
SCHEMBL15313013 0.81 PPARG (0.39) PPARGALDH1A1GAAUBE2MDCUN1D1
SCHEMBL30100 0.81 CYP1A2 (0.36) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL30101 0.81 CYP1A2 (0.36) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL697636 0.81 CYP1A2 (0.36) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL1765535 0.78 PPARG (0.40) PPARGALDH1A1HPGDKDM4EGAA
SCHEMBL1119900 0.78 ALDH1A1 (0.36) PPARGALDH1A1HPGDGAACYP1A2
SCHEMBL18978834 0.76 FAAH (0.32) PPARGALDH1A1HPGDKDM4EGAA

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-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US 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 (2 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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 PPARG 600/4885ALDH1A1 982/4885HPGD 808/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 PPARG 674/4885ALDH1A1 792/4885HPGD 965/4885

“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.