SCHEMBL5658030

SCHEMBL5658030

S=C=NNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.48
CYP3A4 P08684 3/20 0.48
TRPA1 O75762 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2A13 Q16696 1/20 0.45
EPAS1 Q99814 1/20 0.45
ALOX12 P18054 2/20 0.43
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KEAP1 Q14145 2/20 0.41

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
SCHEMBL3815302 0.79 MIF (0.52) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL28750594 0.78 CA12 (0.43) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL8493821 0.72 ALOX12 (0.47) ALDH1A1HPGDALOX12IDO1MEN1
SCHEMBL2370062 0.70 ADH1B (0.54) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL21192748 0.70 IDO1 (0.48) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL1793817 0.70 MAPT (0.52) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL2549267 0.70 ALOX12 (0.48) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL19069697 0.70 HTT (0.48) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL11884759 0.70 KMT2A (0.48) CYP3A4ALDH1A1HPGDALOX12IDO1
SCHEMBL11126521 0.70 IDO1 (0.48) CYP3A4TRPA1ALDH1A1HPGDALOX12

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 3 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-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 MIF 2142/4885CYP3A4 698/4885TRPA1 31/4885

“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.