SCHEMBL6487476

SCHEMBL6487476

COc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CHRNA7 P36544 1/20 0.56
CSNK2A1 P68400 1/20 0.55
MAPT P10636 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
DUSP3 P51452 2/20 0.52
THRB P10828 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTPN7 P35236 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL6481200 0.82 CA1 (0.63) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6479194 0.79 MEN1 (0.55) LMNASMN1; SMN2CSNK2A1MAPTDUSP3
SCHEMBL6480854 0.76 ERCC1 (0.72) MEN1ALDH1A1KMT2A
SCHEMBL16990686 0.76 NAMPT (0.55) SMN1; SMN2MAPTCYP3A4ALDH1A1GAA
SCHEMBL7715505 0.76 DUSP3 (0.65) SMN1; SMN2DUSP3MEN1KMT2APTPN7
SCHEMBL3675685 0.75 CHRNA7 (0.70) LMNACHRNA7MAPTCYP1A2CYP2C19
SCHEMBL6479657 0.75 EPHX2 (0.60) SMN1; SMN2MAPTDUSP3MEN1ALDH1A1
SCHEMBL29776952 0.74 CHRNA7 (0.76) LMNASMN1; SMN2CHRNA7MAPTCYP1A2
SCHEMBL20472469 0.74 CHRNA7 (0.76) LMNASMN1; SMN2CHRNA7MAPTCYP1A2
SCHEMBL6763103 0.74 CYP3A4 (0.61) LMNASMN1; SMN2CHRNA7CSNK2A1MAPT

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 LMNA 3563/4885SMN1; SMN2 1171/4885CHRNA7 705/4885

“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.