Sugi Predict

Sugi Predict / Compounds / SCHEMBL5656596

SCHEMBL5656596

SCHEMBL5656596

COc1cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.46
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ NR1I3 Q14994 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 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
SCHEMBL5655139 0.93 LTB4R (0.44) LTB4RAURKAAURKBNR1I3TUBB4A
SCHEMBL5657985 0.89 LTB4R (0.43) LTB4RAURKAAURKBNR1I3TUBB4A
SCHEMBL6010167 0.88 LTB4R (0.42) LTB4RAURKAAURKBNR1I3TUBB4A
SCHEMBL5656213 0.86 LTB4R (0.42) LTB4RAURKAAURKBNR1I3TUBB4A
SCHEMBL5549184 0.86 LTB4R (0.42) LTB4RAURKAAURKBNR1I3HPGD
SCHEMBL5782504 0.85 GRM5 (0.45) LTB4RTP53GRM5KDM4EMAP4K4
SCHEMBL6310079 0.85 CNR1 (0.42) LTB4RHPGDCNR1GRM5KDM4E
Hydrochloric Acid SCHEMBL5656211 0.84 CNR1 (0.41) LTB4RHPGDCNR1GRM5KDM4E
SCHEMBL5657911 0.83 LTB4R (0.38) LTB4RAURKAAURKBNR1I3HPGD
SCHEMBL6009567 0.83 IDO1 (0.41) LTB4RAURKAAURKBNR1I3TUBB4A

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 2050/4885AURKA 1783/4885AURKB 1415/4885

“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.