SCHEMBL5023255

SCHEMBL5023255

CC(C(=O)O)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
EPHX2 P34913 2/20 0.51
PPARG P37231 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL5016485 0.85 KMT2A (0.62) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL8310068 0.84 MEN1 (0.63) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5023170 0.84 KMT2A (0.73) KMT2AMEN1ALDH1A1
SCHEMBL5016313 0.83 MAPK1 (0.60) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5025058 0.83 TACR1 (0.50) TSHRKMT2AALDH1A1LMNA
SCHEMBL10769950 0.83 KMT2A (0.81) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL11294240 0.83 MEN1 (0.61) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL20438751 0.81 CARM1 (0.66) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL11733691 0.81 MEN1 (0.59) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL5017848 0.81 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480248-C Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
CN-1745076-A Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-03-08 CN disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP TSHR 3682/4885KMT2A 1285/4885MEN1 565/4885

“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.