SCHEMBL4463141

SCHEMBL4463141

O=C(Nc1ccc2[nH]cnc2c1)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
ESR1 P03372 1/20 0.51
MAPT P10636 3/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
PLAU P00749 1/20 0.48
CYP3A4 P08684 1/20 0.47
P2RY6 Q15077 1/20 0.47
P2RY14 Q15391 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAMPT P43490 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL1973642 0.86 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL1382753 0.79 DEGS1 (0.54) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL13373496 0.78 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL8769868 0.78 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3881090 0.78 MEN1 (0.83) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL3147407 0.76 POLB (0.60) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5056509 0.75 HSD11B1 (0.60) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL18745935 0.75 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL8770775 0.75 RAB9A (0.76) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL15652326 0.74 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2APOLB

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 6 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

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 NPC1 3069/4885RAB9A 1292/4885SMN1; SMN2 3132/4885

“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.