SCHEMBL14064293

SCHEMBL14064293

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1c(O)n2n(c1=O)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.41
CTSS P25774 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CHRM4 P08173 1/20 0.35
TDP2 O95551 1/20 0.34

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
SCHEMBL14064291 0.91 NPC1 (0.40) NPC1ALDH1A1GAAMAOBCTSS
SCHEMBL14064271 0.86 HRH3 (0.44) NPC1ALDH1A1GAAMAOBMAPT
SCHEMBL14064292 0.80 CTSS (0.42) NPC1ALDH1A1GAAMAOBCTSS
SCHEMBL14064294 0.80 MAPT (0.41) NPC1ALDH1A1GAAMAOBCTSS
SCHEMBL14064298 0.77 APEX1 (0.40) NPC1ALDH1A1GAAKDM4EKMT2A
SCHEMBL14579498 0.70 HRH3 (0.45) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL14064295 0.70 APEX1 (0.46) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL13761069 0.69 MAPT (0.40) NPC1ALDH1A1GAAMAOBCTSS
SCHEMBL9629255 0.69 KDM4E (0.59) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL13710198 0.69 WRN (0.49) NPC1ALDH1A1GAACTSSMAPT

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-7420062-B2 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE, AG (DE) 2008-09-02 US disclosed
US-7420062-B2 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE, AG (DE) 2008-09-02 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 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 (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-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD NPC1 4055/4885ALDH1A1 769/4885GAA 1621/4885

“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.