SCHEMBL6480802

SCHEMBL6480802

COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
NAMPT P43490 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
MTNR1B P49286 1/20 0.53
ROCK2 O75116 2/20 0.50
CA2 P00918 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL17831080 0.84 NPC1 (0.84) NPC1RAB9ANAMPTSMN1; SMN2MTNR1B
SCHEMBL6480854 0.83 ERCC1 (0.72) NPC1RAB9ATRPV1ERCC1ERCC4
SCHEMBL2846746 0.81 TRPV1 (0.69) TRPV1ALDH1A1
SCHEMBL6479804 0.81 MEN1 (0.58) RAB9ATRPV1SMN1; SMN2ERCC1ERCC4
SCHEMBL27953132 0.80 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2ROCK2MEN1
SCHEMBL17072030 0.79 NPC1 (0.76) NPC1RAB9ANAMPTSMN1; SMN2CA2
SCHEMBL6479194 0.79 MEN1 (0.55) RAB9ATRPV1SMN1; SMN2ERCC1ERCC4
SCHEMBL6480358 0.78 RAB9A (0.71) NPC1RAB9ASMN1; SMN2ERCC1ERCC4
SCHEMBL14677695 0.78 LMNA (0.57) RAB9ASMN1; SMN2ROCK2MEN1KMT2A
SCHEMBL6479657 0.77 EPHX2 (0.60) NPC1RAB9ATRPV1SMN1; SMN2ERCC1

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 NPC1 2328/4885RAB9A 1434/4885NAMPT 2144/4885

“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.