SCHEMBL676174

SCHEMBL676174

Cn1nccc1-c1nc(C(=O)O)cs1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.48
PTGER1 P34995 1/20 0.47
ACHE P22303 1/20 0.47
HPGDS O60760 1/20 0.43
PLA2G10 O15496 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL674347 0.81 RAB9A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28567617 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL6786585 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EPTGER1ACHEHPGDS
SCHEMBL1682702 0.73 CTSA (0.38) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL1815535 0.72 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL26986505 0.72 CYP4F2 (0.52)
SCHEMBL31704800 0.71 KDM4E (0.48) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL674283 0.71 PDE4B (0.42) ALDH1A1KDM4E
SCHEMBL16834639 0.71 KDM4E (0.48) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL675149 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EPTGER1ACHEHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303852-A2 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA ALDH1A1 4692/4885KDM4E 2097/4885PTGER1 3477/4885

“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.