SCHEMBL3585402

SCHEMBL3585402

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cnc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
KDR P35968 4/20 0.40
ABL1 P00519 2/20 0.40
SRC P12931 2/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 1/20 0.39
MALT1 Q9UDY8 2/20 0.39
AHR P35869 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37

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
SCHEMBL3585395 1.00 ACP1 (0.43) ACP1KDRABL1SRCCYP11B2
SCHEMBL13544079 0.88 ACP1 (0.46) ACP1KDRABL1SRCCYP11B2
SCHEMBL3592870 0.86 KDR (0.56) KDRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3592868 0.86 KDR (0.56) KDRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3587067 0.85 MALT1 (0.41) KDRCYP11B2SMN1; SMN2MALT1NPC1
SCHEMBL3596342 0.85 NPC1 (0.55) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL3596337 0.85 NPC1 (0.55) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL3587066 0.85 MALT1 (0.41) KDRCYP11B2SMN1; SMN2MALT1NPC1
SCHEMBL3594624 0.83 SORT1 (0.38) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL3594618 0.83 SORT1 (0.38) MAPTTP53SMN1; SMN2NPC1RAB9A

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-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

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 ACP1 1808/4885KDR 2563/4885ABL1 3103/4885

“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.