SCHEMBL4899760

SCHEMBL4899760

Cc1cc(C2CC2)ccc1C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.60
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 1/20 0.59
MITF O75030 1/20 0.59
XBP1 P17861 1/20 0.59
PAX8 Q06710 1/20 0.59
KLF5 Q13887 1/20 0.59
TRPV1 Q8NER1 4/20 0.54
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TMPRSS4 Q9NRS4 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL13763264 0.85 KDR (0.71) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4910596 0.83 KDR (0.54) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4904838 0.83 KDR (0.54) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4910381 0.83 KDR (0.54) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4900096 0.83 KDR (0.54) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4898810 0.83 KDR (0.54) KDRNPC1RAB9AKDM4EMITF
SCHEMBL13544369 0.81 TRPV1 (0.78) KDRNPC1RAB9AKDM4EMITF
SCHEMBL846477 0.80 KDR (0.59) KDRNPC1RAB9AKDM4EMITF
SCHEMBL13544075 0.78 KDR (0.60) KDRNPC1RAB9AKDM4EMITF
SCHEMBL846516 0.77 TRPV1 (0.65) KDRNPC1RAB9AKDM4EMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US claimed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US claimed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP claimed
WO-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO claimed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US claimed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 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 (2 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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KDR 2423/4885NPC1 959/4885RAB9A 2274/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KDR 2423/4885NPC1 959/4885RAB9A 2274/4885

“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.