SCHEMBL6665883

SCHEMBL6665883

O=C(c1ccccc1)c1cnc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CPA1 P15085 1/20 0.45
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.42
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42
TLK2 Q86UE8 1/20 0.42

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
SCHEMBL1141370 0.84 MAP2K1 (0.54) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL27001673 0.81 GAA (0.59) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL7507358 0.81 GAA (0.55) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL11033825 0.81 GAA (0.51) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL21401162 0.80 GAA (0.57) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL7498832 0.78 GAA (0.51) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL3953041 0.78 GAA (0.55) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL3536906 0.76 TP53 (0.49) RAB9ANPC1SMN1; SMN2TP53GAA
4-Imidazolecarboxylic Acid SCHEMBL1662601 0.73
4-Imidazolecarboxylic Acid SCHEMBL27473022 0.73

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP claimed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO claimed
US-7572916-B2 Diastereoselective synthesis process with 6-bromo-4-(3-chlorophenyl)-2-methoxy-quinoline JANSSEN PHARMACEUTICA NV (BE) 2009-08-11 US disclosed
US-20070293680-A1 For the preparation of (R)-(+)-6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl) methyl]-4-(3-chlorophenyl)-1-methyl2(1H)-quinolinone; farnesyl tranferase inhibitory activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-20 US disclosed
US-7253183-B2 Method of use of (imidazol-5-yl)methyl-2-quinolinone derivatives to inhibit smooth muscle cell proliferation JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-07 US disclosed
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP 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-20070293680-A1 For the preparation of (R)-(+)-6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl) methyl]-4-(3-chlorophenyl)-1-methyl2(1H)-quinolinone; farnesyl tranferase inhibitory activity FNTB, CYP4F2, FNTA RAB9A 854/4885NPC1 1829/4885SMN1; SMN2 4727/4885

“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.