SCHEMBL1646873

SCHEMBL1646873

CCOC(=O)c1cn(-c2ccccc2C=O)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
SPR P35270 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
PFKFB3 Q16875 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
ESRRA P11474 1/20 0.43
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL1422761 0.82 ALDH1A1 (0.54) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL1645366 0.79 BACE1 (0.51) ALDH1A1LMNASMN1; SMN2HPGDCA1
SCHEMBL1645362 0.79 BACE1 (0.51) ALDH1A1LMNASMN1; SMN2HPGDCA1
SCHEMBL72211 0.79 ALDH1A1 (0.63) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL26002143 0.78 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL17666316 0.74 SMN1; SMN2 (0.53) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL22619892 0.74 ALDH1A1 (0.57) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL31039817 0.74 ALDH1A1 (0.57) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL15474868 0.73 ALDH1A1 (0.53) ALDH1A1LMNASPRSMN1; SMN2HPGD
SCHEMBL1196287 0.73 GABRA2 (0.45) ALDH1A1LMNASPRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 683/4885LMNA 1633/4885SPR 1066/4885

“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.