Sugi Predict

Sugi Predict / Compounds / SCHEMBL5654518

SCHEMBL5654518

SCHEMBL5654518

O=C(c1ccc(I)cc1)c1ccc2[nH]c(=O)nc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDO2 P48775 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL4898281 0.92 KDM4E (0.62) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL3559250 0.89 KDM4E (0.55) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL3552671 0.89 KDM4E (0.55) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL3556688 0.86 MEN1 (0.52) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL5550324 0.83 KDM4E (0.51) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL5658015 0.83 NPSR1 (0.50) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL5023770 0.82 KDM4E (0.52) KDM4EHSD17B10MEN1CASP1KMT2A
SCHEMBL5657749 0.81 MEN1 (0.52) MEN1KMT2AHPGDMAPK1NUDT1
SCHEMBL3553199 0.79 CSNK2A2 (0.45) KDM4EMEN1KMT2APDE4APDE4C
SCHEMBL5026927 0.77 MEN1 (0.65) KDM4EHSD17B10MEN1CASP1KMT2A

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-7173040-B2 Farnesyl transferase inhibiting 6-[(substituted phenyl)methyl]-quinoline and quinazoline derinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-06 — — US disclosed
US-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties JANSSEN-CILAG S.A. (FR) 2004-03-11 — — US disclosed
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 — — EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 — — 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-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties FNTB, FNTA, CYP7A1 KDM4E 1592/4885HSD17B10 639/4885MEN1 887/4885

“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.