SCHEMBL4201098

SCHEMBL4201098

Cc1ccc([C]=O)c(NC(=O)CCN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
GAA P10253 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL27729887 0.88 MEN1 (0.46) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL14935007 0.81 HDAC3 (0.68) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL12894269 0.78 HDAC3 (0.52) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL6835468 0.77 GAA (0.61) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL1041427 0.77 RAB9A (0.49) RAB9AGAAHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL9313818 0.76 GAA (0.60) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL5068529 0.73 KAT2B (0.56) HDAC6
SCHEMBL4508909 0.71 HDAC3 (0.50) RAB9AGAAHDAC3HDAC1HDAC2
SCHEMBL6660579 0.71 POLB (0.68) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL14679379 0.70 HDAC3 (0.69) RAB9AHDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 US claimed
US-7452996-B2 Substituted quinoline derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-18 US claimed
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP claimed
CN-101233115-A Indole and benzimidazole derivatives NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-07-30 CN claimed
EP-1753723-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS Novartis Vaccines and Diagnostics, Inc. (US) 2007-02-21 EP claimed
WO-2005113507-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-01 WO claimed
US-20050261337-A1 N-(3-aminopropyl)-N- [1-(3-benzylquinolin-2-yl)- 2-methylpropyl]-3-fluoro-4-methylbenzamide; cancer; disorder mediated, at least in part by kinesin-related proteins WANG WEIBO 2005-11-24 US claimed
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 US disclosed
US-7452996-B2 Substituted quinoline derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-18 US disclosed
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
CN-101233115-A Indole and benzimidazole derivatives NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-07-30 CN disclosed
EP-1753723-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS Novartis Vaccines and Diagnostics, Inc. (US) 2007-02-21 EP disclosed
WO-2005113507-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-01 WO disclosed
US-20050261337-A1 N-(3-aminopropyl)-N- [1-(3-benzylquinolin-2-yl)- 2-methylpropyl]-3-fluoro-4-methylbenzamide; cancer; disorder mediated, at least in part by kinesin-related proteins WANG WEIBO 2005-11-24 US 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 (2 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-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES ABCG2, ABCB1, UGT2B7 RAB9A 500/4885GAA 346/4885HDAC3 322/4885
US-20050261337-A1 N-(3-aminopropyl)-N- [1-(3-benzylquinolin-2-yl)- 2-methylpropyl]-3-fluoro-4-methylbenzamide; cancer; disorder mediated, at least in part by kinesin-related proteins KIF5B, KIF2C, KIF5C RAB9A 205/4885GAA 1626/4885HDAC3 1122/4885

“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.