SCHEMBL3880418

SCHEMBL3880418

O=C(Nc1ccc2cccnc2c1)c1ccc2c(Br)cn(Cc3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TRPV1 Q8NER1 3/20 0.51
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PABPC1 P11940 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SLC2A1 P11166 2/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
NR1I2 O75469 1/20 0.42
PDE6D O43924 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
SCHEMBL3880136 0.84 MEN1 (0.54) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL3891697 0.83 MEN1 (0.62) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL6359316 0.80 CNR2 (0.53) MEN1KMT2ATRPV1NR1I2POLB
SCHEMBL3878438 0.74 MEN1 (0.74) MEN1KMT2ATRPV1PABPC1NPC1
SCHEMBL3889763 0.74 RHEB (0.54) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7101847 0.74 PABPC1 (0.79) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL3890282 0.73 MEN1 (1.00) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL3258184 0.73 MEN1 (0.56) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL3880275 0.73 MEN1 (0.65) MEN1KMT2ATRPV1PABPC1HDAC6
SCHEMBL3892728 0.73 TRPV1 (0.57) MEN1KMT2ATRPV1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-20050165049-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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MEN1 3499/4885KMT2A 3902/4885TRPV1 1/4885

“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.