SCHEMBL5657172

SCHEMBL5657172

CC(=O)Nc1ccc(Br)c2cnccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.64
EPHX1 P07099 1/20 0.48
EGFR P00533 1/20 0.44
CHUK O15111 1/20 0.44
AXL P30530 1/20 0.44
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
IMPDH2 P12268 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL5657826 0.83 RXFP1 (0.45) RXFP1CHUKKMT2AMEN1ALDH1A1
SCHEMBL4021056 0.81 EP300 (0.51) RXFP1CHUKAXLKMT2AMEN1
SCHEMBL14589058 0.81 CHUK (0.44) RXFP1EGFRCHUKKMT2AMEN1
SCHEMBL16305298 0.78 CA1 (0.46) RXFP1EGFRCHUKKMT2ACA1
SCHEMBL30064828 0.78 RXFP1 (1.00) RXFP1EPHX1KMT2ACA1CA2
SCHEMBL6835642 0.78 RXFP1 (1.00) RXFP1EPHX1KMT2ACA1CA2
SCHEMBL4020385 0.78 KMT2A (0.55) CHUKKMT2AMEN1ALDH1A1MAPT
SCHEMBL21801046 0.76 AXL (0.47) RXFP1EGFRAXLKMT2AMEN1
SCHEMBL29380267 0.76 AXL (0.47) RXFP1EGFRAXLKMT2AMEN1
SCHEMBL16508198 0.75 CASP6 (0.44) RXFP1CHUKKMT2ACA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 US disclosed
WO-2004007459-A2 NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 RXFP1 712/4885EPHX1 1724/4885EGFR 2985/4885

“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.