SCHEMBL2299249

SCHEMBL2299249

Cn1nccc1-c1c(Cl)sc(N(C(=O)O)C(C)(C)C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ITGB1 P05556 1/20 0.33
ITGA2 P17301 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
FFAR2 O15552 1/20 0.30

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
SCHEMBL12385388 0.70 ATR (0.37) ALDH1A1MAPTNPC1RAB9AHTR2A
SCHEMBL2301208 0.69 ALDH1A1 (0.41) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL2302107 0.68 AKT1 (0.40) ALDH1A1MAPTSLC13A5KDM4ENPC1
SCHEMBL1529584 0.63 ALDH1A1 (0.47) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL15392854 0.61 ALDH1A1 (0.58) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL2303639 0.60 AKT1 (0.39) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL1529625 0.60 HTR2A (0.46) ALDH1A1MAPTNPC1HTR2AHTR2C
SCHEMBL1529928 0.60 DAO (0.44) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL16652413 0.59 CYP3A4 (0.45) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL5307793 0.59 PTGS2 (0.38) ALDH1A1MAPTHTTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592475-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
US-20110196009-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2011-08-11 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-20110196009-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ALDH1A1 3652/4885MAPT 4189/4885ITGB1 3509/4885

“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.