Sugi Predict

Sugi Predict / Compounds / SCHEMBL5656276

SCHEMBL5656276

SCHEMBL5656276

O=C(c1ccc2c(c1)OCCO2)c1ccc2noc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 10/20 0.51
▸ IP6K3 Q96PC2 9/20 0.51
▸ IP6K2 Q9UHH9 9/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL5514440 0.85 ALDH1A1 (0.62) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5656312 0.82 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL3549996 0.82 IP6K1 (0.62) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL3559449 0.82 ALDH1A1 (0.58) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5668301 0.81 MAPT (0.47) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5658645 0.80 NPC1 (0.47) ALDH1A1KDM4ETP53HSD17B10GAA
SCHEMBL3554883 0.80 KMT2A (0.61) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5545666 0.79 DOT1L (0.54) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL25991593 0.78 IP6K1 (0.81) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5022746 0.77 IP6K1 (0.52) IP6K1IP6K3IP6K2ALDH1A1KDM4E

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 IP6K1 3452/4885IP6K3 3694/4885IP6K2 3775/4885

“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.