SCHEMBL6480358

SCHEMBL6480358

COc1cc(CNC(=O)Nc2cccc(Cl)c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.71
NPC1 O15118 2/20 0.71
MTOR P42345 1/20 0.66
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL6479417 0.88 NPC1 (0.55) RAB9ANPC1MTORLMNASMN1; SMN2
SCHEMBL6480854 0.87 ERCC1 (0.72) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL30884019 0.86 LMNA (0.62) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL29212731 0.86 LMNA (0.62) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL6479194 0.85 MEN1 (0.55) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL6479657 0.83 EPHX2 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6479804 0.80 MEN1 (0.58) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL6481200 0.79 CA1 (0.63) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6480802 0.78 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2846746 0.77 TRPV1 (0.69) ALDH1A1TDP1

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 RAB9A 1434/4885NPC1 2328/4885MTOR 2692/4885

“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.