SCHEMBL6478776

SCHEMBL6478776

O=C(Nc1cccc(-c2cccc(F)c2)c1)Nc1ccccc1CCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 3/20 0.65
TRPV1 Q8NER1 3/20 0.56
RAB9A P51151 4/20 0.52
MGLL Q99685 1/20 0.51
PTGER3 P43115 1/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CNR1 P21554 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 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
SCHEMBL23831706 0.92 MEN1 (0.76) MEN1KMT2AMAPTTRPV1RAB9A
SCHEMBL6489054 0.92 CNR1 (0.57) MEN1KMT2AMAPTTRPV1RAB9A
SCHEMBL6490134 0.90 MGLL (0.65) MEN1KMT2AMAPTTRPV1MGLL
SCHEMBL6487078 0.88 TRPV1 (0.54) MEN1KMT2AMAPTTRPV1MGLL
SCHEMBL6490717 0.88 MAPT (0.56) MEN1KMT2AMAPTTRPV1RAB9A
SCHEMBL6490705 0.85 TRPV1 (0.58) MEN1KMT2AMAPTTRPV1RAB9A
SCHEMBL6489149 0.85 TRPV1 (0.59) MEN1KMT2AMAPTTRPV1MGLL
SCHEMBL6488133 0.84 CNR1 (0.64) MEN1KMT2ATRPV1MGLLSMN1; SMN2
SCHEMBL6490081 0.84 TRPV1 (0.60) MEN1KMT2AMAPTTRPV1RAB9A
SCHEMBL6480620 0.82 MGLL (0.51) MEN1KMT2AMAPTTRPV1RAB9A

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-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US claimed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP claimed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 WO claimed
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 WO 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-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 MEN1 4397/4885KMT2A 3964/4885MAPT 2294/4885

“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.