Sugi Predict

Sugi Predict / Compounds / SCHEMBL5654539

SCHEMBL5654539

SCHEMBL5654539

CCOC(OCC)c1ccc(C(=O)c2ccc3nc(Cl)cc(-c4cccc(Cl)c4)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.40
▸ ADORA1 P30542 1/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NR1I3 Q14994 1/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34

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
SCHEMBL5656213 0.90 LTB4R (0.42) LTB4RADORA1PDE4BPDE4DFFAR1
SCHEMBL7147632 0.85 LTB4R (0.38) LTB4RADORA1FFAR1TRPM8MEN1
SCHEMBL6310079 0.83 CNR1 (0.42) LTB4RLMNAFABP3FABP4MAP4K4
Hydrochloric Acid SCHEMBL5656211 0.82 CNR1 (0.41) LTB4RLMNAFABP3FABP4MAP4K4
SCHEMBL5782390 0.76 CNR2 (0.52) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL5027012 0.76 LTB4R (0.37) LTB4RNUDT1MAP4K4L3MBTL1
SCHEMBL5782504 0.75 GRM5 (0.45) LTB4RALDH1A1LMNAMEN1KMT2A
SCHEMBL5656596 0.74 LTB4R (0.46) LTB4RMAPTNR1I3MAP4K4
SCHEMBL5655139 0.72 LTB4R (0.44) LTB4RNR1I3MAP4K4
SCHEMBL12590511 0.70 FNTA (0.38) LTB4RALDH1A1

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 LTB4R 2050/4885ADORA1 3837/4885PDE4B 1791/4885

“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.