SCHEMBL3301042

SCHEMBL3301042

O=[C]NCc1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
FAAH O00519 1/20 0.39
PARP1 P09874 3/20 0.39
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
VCP P55072 1/20 0.33
CNR1 P21554 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL3304764 0.83 KDM1A (0.41) MEN1MAPTKMT2AALDH1A1PIM1
SCHEMBL3304922 0.79 MMP13 (0.49) PTPN7DUSP3
SCHEMBL3311008 0.79 HDAC3 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19PARP1
SCHEMBL5536900 0.76 MAPT (0.43) CYP1A2CYP2D6CYP2C9CYP2C19FPR2
SCHEMBL3310953 0.76 PTPN7 (0.49) PTPN7DUSP3
SCHEMBL6849403 0.76 KDM4E (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL1363941 0.76 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6077722 0.75 MAPT (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL318590 0.75 ADH1B (0.46) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL3310616 0.75 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 CYP1A2 1516/4885CYP2D6 516/4885CYP2C9 1125/4885

“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.