SCHEMBL21678313

SCHEMBL21678313

CON(C)C(=O)c1ccc(Oc2ccc(C3OCCO3)cc2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.35
NR1H2 P55055 1/20 0.34
LIPE Q05469 4/20 0.32
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL21678309 0.86 LIPE (0.34) SCN9ANR1H2LIPELMNAMAPT
SCHEMBL18529452 0.82 LIPE (0.43) LIPELMNAKDM4E
SCHEMBL21678318 0.81 SCN9A (0.33) SCN9ALIPE
SCHEMBL21703278 0.80 ALDH1A1 (0.36) SCN9ALIPELMNAKDM4EMAPT
SCHEMBL20031600 0.77 SCN9A (0.41) SCN9AGPR119KDM4EMAPTL3MBTL1
SCHEMBL21678314 0.74 PDE4D (0.37) SCN9ALMNA
SCHEMBL18529451 0.69 XPO1 (0.47) MLYCD
SCHEMBL6232464 0.67 NPC1 (0.38) LMNAKDM4EMAPT
SCHEMBL19994245 0.67 PKM (0.43) LIPEMAPTL3MBTL1
SCHEMBL18529453 0.66 LIPE (0.44) LIPELMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 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-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES CYP51A1, ERG28, SBK3 SCN9A 4735/4885NR1H2 2756/4885LIPE 1706/4885

“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.