SCHEMBL3731908

SCHEMBL3731908

Cn1cc(C(F)(F)F)c(CCNC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
LMNA P02545 5/20 0.37
POLB P06746 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NTRK1 P04629 1/20 0.33
ASAH1 Q13510 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3726789 0.76 NPC1 (0.35) MAPTLMNAPOLBCYP1A2CYP2C19
SCHEMBL3725190 0.73 HTR2A (0.36) CYP1A2CYP2C19HTR2AHTR2CGAA
SCHEMBL3155407 0.73 GAA (0.37) LMNAPOLBCYP1A2HTR2AHTR2C
SCHEMBL4226263 0.70 KCNH2 (0.34) LMNAPOLBCYP1A2HTR2AHTR2C
SCHEMBL3165337 0.70 HTR2A (0.44) LMNAPOLBCYP1A2CYP2C19ALDH1A1
SCHEMBL18151130 0.70 GAA (0.34) LMNAPOLBCYP1A2HTR2AHTR2C
SCHEMBL3736131 0.70 LRRK2 (0.35) LMNAPOLBCYP1A2HTR2AHTR2C
SCHEMBL3735745 0.66 KDM4E (0.34) MAPTCYP1A2ALDH1A1HTR2AHTR2C
SCHEMBL3159391 0.66 ADORA2A (0.50) MAPTLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL27672808 0.65 RAB9A (0.46) MAPTLMNAPOLBHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879878-B1 HETEROCYCLYLETHYLHETEROCYCLYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-06-25 EP disclosed
EP-2518065-A1 N-(furanylethyl)-heterocyclylcarboxamide derivatives as fungicides Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-7825068-B2 Heterocyclylethylcarboxamide derivatives BAYER CROPSCIENCE AG (DE) 2010-11-02 US disclosed
US-20090054492-A1 Heterocyclyethylcarboxamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-26 US disclosed
EP-1879878-A2 NEW HETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-23 EP disclosed
WO-2006108791-A2 HETEROCYCLYLETHYLHETEROCYCLYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-10-19 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-20090054492-A1 Heterocyclyethylcarboxamide Derivatives CYP51A1, CYP1A2, CYP3A7 MAPT 2141/4885LMNA 2731/4885POLB 4159/4885

“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.