SCHEMBL4472797

SCHEMBL4472797

O=C(Nc1cnc2ccccc2c1)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.68
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
KDM4E B2RXH2 1/20 0.65
MITF O75030 1/20 0.65
XBP1 P17861 1/20 0.65
PAX8 Q06710 1/20 0.65
KLF5 Q13887 1/20 0.65
ALDH1A1 P00352 2/20 0.63
TRPV1 Q8NER1 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL19616459 0.83 KDR (0.81) KDRNPC1RAB9AKDM4EMITF
SCHEMBL29647749 0.83 KDR (0.81) KDRNPC1RAB9AKDM4EMITF
SCHEMBL995474 0.81 KDR (1.00) KDRNPC1RAB9AKDM4EMITF
SCHEMBL846685 0.80 KDR (0.81) KDRNPC1RAB9AKDM4EMITF
SCHEMBL845978 0.79 KDR (0.79) KDRNPC1RAB9AKDM4EMITF
SCHEMBL846216 0.79 NPC1 (1.00) KDRNPC1RAB9AKDM4EMITF
SCHEMBL5578232 0.79 KDR (0.67) KDRNPC1RAB9AKDM4EMITF
SCHEMBL847083 0.79 KDR (0.84) KDRNPC1RAB9AKDM4EMITF
SCHEMBL846075 0.79 NPC1 (0.71) KDRNPC1RAB9AKDM4EMITF
SCHEMBL4935881 0.78 KDR (0.64) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US claimed
EP-1725529-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN Amgen Inc. (US) 2006-11-29 EP claimed
WO-2005070885-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2005-08-04 WO claimed
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
EP-1725529-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN Amgen Inc. (US) 2006-11-29 EP disclosed
WO-2005070885-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2005-08-04 WO disclosed
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 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-20050165046-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KDR 97/4885NPC1 3069/4885RAB9A 1292/4885

“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.