SCHEMBL3594618

SCHEMBL3594618

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 7/20 0.38
MAPT P10636 2/20 0.37
MTOR P42345 1/20 0.37
MYC P01106 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3594624 1.00 SORT1 (0.38) SORT1MAPTMTORMYCKMT2A
SCHEMBL13544067 0.88 MTOR (0.39) MAPTMTORMYCKMT2AADORA3
SCHEMBL13544293 0.87 SORT1 (0.42) SORT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3597777 0.86 SORT1 (0.39) SORT1MTORNPC1RAB9AALDH1A1
SCHEMBL3597773 0.86 SORT1 (0.39) SORT1MTORNPC1RAB9AALDH1A1
SCHEMBL3585395 0.83 ACP1 (0.43) MAPTEGLN1NPC1RAB9ATP53
SCHEMBL3585402 0.83 ACP1 (0.43) MAPTEGLN1NPC1RAB9ATP53
SCHEMBL3586564 0.82 TRPV1 (0.51) KMT2AEGLN1NPC1RAB9A
SCHEMBL3586560 0.82 TRPV1 (0.51) KMT2AEGLN1NPC1RAB9A
SCHEMBL3588779 0.81 KDR (0.56) MAPTKMT2ANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 SORT1 4494/4885MAPT 3251/4885MTOR 1888/4885

“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.