SCHEMBL4467330

SCHEMBL4467330

O=C(Nc1cccc2cc[nH]c12)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.58
SIRT2 Q8IXJ6 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PLAU P00749 1/20 0.47
ESR1 P03372 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHPS P49366 1/20 0.44
GRM5 P41594 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL12059796 0.79 KEAP1 (0.51) DHODHNPC1RAB9AMEN1KMT2A
SCHEMBL25656302 0.75 DHODH (0.62) DHODHSIRT2NPC1RAB9AMEN1
SCHEMBL18120563 0.74 DHODH (1.00) DHODHMEN1KMT2AAKR1C4AKR1C3
SCHEMBL7775777 0.72 NPC1 (0.61) DHODHSIRT2NPC1RAB9AMEN1
SCHEMBL27698981 0.72 KEAP1 (0.56) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL21537421 0.72 DHODH (0.60) DHODHSIRT2NPC1RAB9AMEN1
SCHEMBL12044324 0.72 RAB9A (0.48) NPC1RAB9AKMT2ADHPSTRPV1
SCHEMBL24133357 0.71 DHODH (0.80) DHODHSIRT2NPC1RAB9AMEN1
SCHEMBL31456523 0.70 NR3C1 (0.57) GRM5GAATRPV1
SCHEMBL30026274 0.70 PDPK1 (0.57) GRM5GAATRPV1

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 8 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
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 DHODH 2043/4885SIRT2 2320/4885NPC1 3069/4885

“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.