SCHEMBL6314670

SCHEMBL6314670

O=C(NCc1ccc(Br)cc1)Nc1cccc2cc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.57
KDM4E B2RXH2 3/20 0.51
GSK3B P49841 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ROCK2 O75116 2/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PRKX P51817 1/20 0.44
PRKG2 Q13237 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SGK2 Q9HBY8 1/20 0.44
NAMPT P43490 1/20 0.43
CFD P00746 1/20 0.43
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4023690 0.80 CLK4 (0.52) TRPV1KDM4EGSK3BMEN1KMT2A
SCHEMBL10267585 0.75 ITGB3 (0.55) TRPV1KDM4EGSK3BMEN1KMT2A
SCHEMBL31668711 0.74 TRPV1 (0.65) TRPV1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4024918 0.73 TRPV1 (0.65) TRPV1KDM4EGSK3BRPS6KB1
SCHEMBL4024915 0.73 TRPV1 (0.79) TRPV1RPS6KB1
SCHEMBL30087920 0.73 NR3C1 (0.49) TRPV1
SCHEMBL21920694 0.73 NR3C1 (0.49) TRPV1
SCHEMBL27698981 0.72 KEAP1 (0.56) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL4024418 0.71 TRPV1 (0.61) TRPV1KDM4EGSK3BMEN1KMT2A
SCHEMBL24575914 0.71 TGM2 (0.63) TRPV1MEN1KMT2AALDH1A1ROCK2

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-20050119304-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-06-02 US claimed
EP-1465623-A1 UREA DERIVATIVES Bayer HealthCare AG (DE) 2004-10-13 EP claimed
WO-2003055484-A1 UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-10 WO claimed
US-20050119304-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-06-02 US disclosed
EP-1465623-A1 UREA DERIVATIVES Bayer HealthCare AG (DE) 2004-10-13 EP disclosed
WO-2003055484-A1 UREA DERIVATIVES 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-20050119304-A1 Urea derivatives SLC14A1, UBA1, UFM1 TRPV1 84/4885KDM4E 4013/4885GSK3B 1389/4885

“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.