SCHEMBL1688412

SCHEMBL1688412

COC(=O)c1ccc2nc(C(F)(F)F)nc(NCCCO)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
SIRT5 Q9NXA8 1/20 0.48
TLR7 Q9NYK1 4/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MEN1 O00255 1/20 0.43
CCNE2 O96020 7/20 0.42
CCNE1 P24864 7/20 0.42
CDK2 P24941 7/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL1643375 0.89 KMT2A (0.50) KMT2ASIRT5TLR7L3MBTL1CSNK2A2
SCHEMBL1285218 0.89 CSNK2A1 (0.54) KMT2ASIRT5TLR7L3MBTL1CSNK2A2
SCHEMBL1688376 0.83 MAPT (0.57) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL6373749 0.77 KDM4E (0.51) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL13975801 0.74 TLR7 (0.63) TLR7TLR8
SCHEMBL1645135 0.72 MAPT (0.58) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL1644149 0.72 PPARG (0.36) KMT2ASIRT5TLR7CSNK2A2CSNK2B
SCHEMBL1688393 0.70 TLR7 (0.54) KMT2ATLR7KDM4EALDH1A1LMNA
SCHEMBL7611430 0.69 LATS1 (0.64) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL1688414 0.68 KDM4E (0.52) KMT2AKDM4EALDH1A1LMNAHTT

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 KMT2A 4280/4885SIRT5 1568/4885TLR7 1332/4885

“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.