SCHEMBL6480400

SCHEMBL6480400

CSc1ccc(-c2cccc(NC(=O)Nc3ccccc3CCO)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 6/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CNR1 P21554 4/20 0.45
DDX3X O00571 1/20 0.43
GRIK1 P39086 1/20 0.43

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
SCHEMBL6490134 0.88 MGLL (0.65) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL23832011 0.87 MEN1 (0.64) TRPV1MEN1KMT2AKDM4EMAPT
SCHEMBL6480620 0.85 MGLL (0.51) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL6489054 0.85 CNR1 (0.57) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL6488133 0.85 CNR1 (0.64) MGLLTRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL6490081 0.82 TRPV1 (0.60) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL6487078 0.82 TRPV1 (0.54) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL6490705 0.81 TRPV1 (0.58) MGLLTRPV1MEN1KMT2AKDM4E
SCHEMBL6478776 0.81 MEN1 (0.65) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL6479242 0.81 DDX3X (0.51) MGLLTRPV1MEN1KMT2AMAPT

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 4 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
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 MGLL 4556/4885TRPV1 214/4885MEN1 4397/4885

“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.