SCHEMBL6446181

SCHEMBL6446181

CC(C)C(NC(=O)NCc1cccnc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 2/20 0.60
TSHR P16473 1/20 0.60
FES P07332 1/20 0.56
RET P07949 1/20 0.56
MARK3 P27448 1/20 0.56
TYK2 P29597 1/20 0.56
FLT4 P35916 1/20 0.56
SYK P43405 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
GPR132 Q9UNW8 2/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6446176 1.00 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRFESRET
SCHEMBL24568673 0.85 ALDH1A1 (0.62) ALDH1A1FESRETMARK3TYK2
SCHEMBL6445570 0.84 MAPK1 (0.76) ALDH1A1MAPK1TSHRL3MBTL1KMT2A
SCHEMBL7206283 0.84 MAPK1 (0.76) ALDH1A1MAPK1TSHRL3MBTL1KMT2A
SCHEMBL5175905 0.84 MAPK1 (0.76) ALDH1A1MAPK1TSHRL3MBTL1KMT2A
SCHEMBL8843480 0.83 L3MBTL1 (0.53) ALDH1A1L3MBTL1KMT2APKMGPR132
Hydrochloric Acid SCHEMBL8843446 0.82 TBXAS1 (0.52) ALDH1A1L3MBTL1KMT2APKMGPR132
SCHEMBL7270440 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2APKM
SCHEMBL6443067 0.81 GPR132 (0.58) ALDH1A1L3MBTL1GPR132
SCHEMBL8145692 0.81 ALDH1A1 (0.58) ALDH1A1FESRETMARK3TYK2

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885MAPK1 4408/4885TSHR 2585/4885

“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.