SCHEMBL6479804

SCHEMBL6479804

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
TRPV1 Q8NER1 4/20 0.54
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.52
ROCK2 O75116 1/20 0.52
RAB9A P51151 1/20 0.51
KDM1A O60341 1/20 0.50
NR1I2 O75469 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
SCHEMBL6480854 0.88 ERCC1 (0.72) MEN1KMT2AERCC1ERCC4TRPV1
SCHEMBL6479194 0.83 MEN1 (0.55) MEN1KMT2AERCC1ERCC4TRPV1
SCHEMBL854815 0.82 FOS (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6480802 0.81 NPC1 (0.60) MEN1KMT2AERCC1ERCC4TRPV1
SCHEMBL6479657 0.81 EPHX2 (0.60) MEN1KMT2AERCC1ERCC4TRPV1
SCHEMBL6480358 0.80 RAB9A (0.71) MEN1KMT2AERCC1ERCC4POLB
SCHEMBL7529204 0.80 LPAR1 (0.53) MEN1KMT2ATRPV1CYP1A2CYP3A4
SCHEMBL2849114 0.78 TRPV1 (0.61) MEN1KMT2ATRPV1ALDH1A1SMN1; SMN2
SCHEMBL2849109 0.78 TRPV1 (0.61) MEN1KMT2ATRPV1ALDH1A1SMN1; SMN2
SCHEMBL6481200 0.78 CA1 (0.63) MEN1KMT2AERCC1ERCC4TRPV1

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 7 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
JP-2003192660-A UREA DERIVATIVE BAYER AG 2003-07-09 JP 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 3964/4885ERCC1 1209/4885

“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.