SCHEMBL3211905

SCHEMBL3211905

O=Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 2/20 0.62
NPBWR1 P48145 1/20 0.62
MCHR1 Q99705 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
DRD4 P21917 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTT P42858 1/20 0.50
HTR7 P34969 1/20 0.49
CASP1 P29466 1/20 0.49
CASP5 P51878 1/20 0.49
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SMO Q99835 1/20 0.46

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
SCHEMBL3619267 0.80 ALDH1A1 (0.61) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL2744707 0.80 ALDH1A1 (0.61) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL12659901 0.80 LMNA (0.61) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL20804885 0.80 MAPT (0.61) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL4392263 0.80 DRD4 (0.70) ALDH1A1MAPTDRD4SIGMAR1HTR7
SCHEMBL844318 0.80 KDM4E (0.56) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL1540132 0.79 HTR7 (0.52) ALDH1A1MAPTDRD4HTR7DRD2
SCHEMBL3211217 0.78 ME2 (0.52) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3211194 0.78 ME2 (0.52) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL6704714 0.77 ALDH1A1 (0.97) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1

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-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885MAPT 8/4885NPBWR1 485/4885

“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.