SCHEMBL3208403

SCHEMBL3208403

O=Cc1ccc(Br)cc1N1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BACE1 P56817 4/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
TP53 P04637 1/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL3690553 0.81 HTT (0.48) HTTMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2481062 0.80 MAPT (0.55) MEN1KMT2ADRD3DRD2MAPT
SCHEMBL4528462 0.79 ALDH1A1 (0.49) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL17700319 0.78 PTPN1 (0.39) HTTKMT2ANPSR1ERN1
SCHEMBL4471820 0.77 ALDH1A1 (0.47) HTTMEN1KMT2ACYP2C19MAPT
SCHEMBL3221141 0.76 BACE1 (0.49) HTTBACE1
SCHEMBL3221133 0.76 BACE1 (0.49) HTTBACE1
SCHEMBL13958133 0.75 HTT (0.49) HTTMEN1KMT2ABACE1CYP2D6
SCHEMBL1277259 0.75 PRKDC (0.51) HTTMEN1KMT2ABACE1MAPT
SCHEMBL25692327 0.74 ERN1 (0.39) MEN1KMT2AMAPTHTR1AADRA1B

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 5 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
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN 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
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN 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 HTT 71/4885MEN1 2360/4885KMT2A 2031/4885

“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.