SCHEMBL2103660

SCHEMBL2103660

CC(C)(C)N(C(=O)O)[C@H](CCO)Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.43
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL2102860 0.89 MME (0.45) MMEMEN1KMT2ALMNAALDH1A1
SCHEMBL2459695 0.89 MME (0.45) MMEMEN1KMT2ALMNAALDH1A1
SCHEMBL2101211 0.84 GSK3B (0.39) MEN1KMT2ALMNAALDH1A1
SCHEMBL2578174 0.80 MME (0.47) MMEMEN1KMT2ALMNAALDH1A1
SCHEMBL2103710 0.78 POLB (0.35) KMT2APPARG
SCHEMBL2882031 0.77 PPARA (0.43) MEN1KMT2AACACBPPARA
SCHEMBL2104007 0.75 MEN1 (0.46) MMEMEN1KMT2AALDH1A1NPC1
SCHEMBL2468105 0.75 MAOB (0.39) MMEMEN1KMT2ALMNAALDH1A1
SCHEMBL5066181 0.75 ALPI (0.43) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL4064873 0.75 ALPI (0.43) MEN1KMT2ALMNAALDH1A1NPC1

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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 MME 3981/4885MEN1 1302/4885KMT2A 1501/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MME 3981/4885MEN1 1302/4885KMT2A 1501/4885

“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.