SCHEMBL6479417

SCHEMBL6479417

COc1cc(CNC(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR1 P21554 3/20 0.53
MTOR P42345 1/20 0.51
HTT P42858 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
ROCK2 O75116 1/20 0.49

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
SCHEMBL6480358 0.88 RAB9A (0.71) NPC1RAB9AERCC1ERCC4LMNA
SCHEMBL6480854 0.87 ERCC1 (0.72) NPC1RAB9AERCC1ERCC4CNR1
SCHEMBL6479194 0.80 MEN1 (0.55) RAB9AERCC1ERCC4LMNASMN1; SMN2
SCHEMBL6479657 0.78 EPHX2 (0.60) NPC1RAB9AERCC1ERCC4SMN1; SMN2
SCHEMBL26378655 0.76 SMN1; SMN2 (0.57) LMNASMN1; SMN2HTT
SCHEMBL6101644 0.76 SMN1; SMN2 (0.64) LMNASMN1; SMN2HTT
SCHEMBL6479804 0.76 MEN1 (0.58) RAB9AERCC1ERCC4LMNASMN1; SMN2
SCHEMBL29615111 0.76 CNR1 (0.82) SMN1; SMN2CNR1HTT
SCHEMBL22834264 0.76 CNR1 (0.82) SMN1; SMN2CNR1HTT
SCHEMBL6481200 0.75 CA1 (0.63) ERCC1ERCC4LMNASMN1; SMN2HTT

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 NPC1 2328/4885RAB9A 1434/4885ERCC1 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.