SCHEMBL6490717

SCHEMBL6490717

O=C(Nc1cccc(-c2cc(F)ccc2F)c1)Nc1ccccc1CCO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CNR1 P21554 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
TRPV1 Q8NER1 2/20 0.51
PKM P14618 1/20 0.48
HTT P42858 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.45
KDR P35968 1/20 0.44
CCR3 P51677 4/20 0.43
PTGER3 P43115 1/20 0.43
MGLL Q99685 1/20 0.43
POLB P06746 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
SCHEMBL6478776 0.88 MEN1 (0.65) MAPTMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL6489054 0.86 CNR1 (0.57) MAPTMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL6487078 0.85 TRPV1 (0.54) MAPTMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL23831706 0.85 MEN1 (0.76) MAPTMEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL6489149 0.83 TRPV1 (0.59) MAPTMEN1KMT2ACNR1TRPV1
SCHEMBL6490134 0.82 MGLL (0.65) MAPTMEN1KMT2ACNR1TRPV1
SCHEMBL6478899 0.81 TRPV1 (0.59) MAPTMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL6490705 0.81 TRPV1 (0.58) MAPTMEN1KMT2ACNR1SMN1; SMN2
SCHEMBL6488801 0.80 TRPV1 (0.65) MAPTMEN1KMT2ATRPV1RAB9A
SCHEMBL6480232 0.80 TRPV1 (0.62) MEN1KMT2ACNR1SMN1; SMN2TRPV1

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 2 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
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 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-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 MAPT 2294/4885MEN1 4397/4885KMT2A 3964/4885

“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.