SCHEMBL1646903

SCHEMBL1646903

O=Cc1ccccc1-c1cn(Cc2ccccc2)nn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
CCNK O75909 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTGS2 P35354 1/20 0.47
EPHB4 P54760 4/20 0.46
TEK Q02763 4/20 0.46
KDR P35968 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 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
SCHEMBL22510634 0.79 CYP19A1 (0.82) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL29275462 0.79 CYP19A1 (0.66) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL28907313 0.78 CYP19A1 (0.64) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL29275460 0.78 EPHB4 (0.70) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL13734665 0.77 CYP19A1 (0.59) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL29065641 0.77 CYP19A1 (0.72) CYP19A1FLT3GSK3BNPC1RAB9A
SCHEMBL14859694 0.77 GSK3B (0.59) CYP19A1FLT3GSK3BNPC1RAB9A
SCHEMBL13880426 0.76 CYP19A1 (0.57) CYP19A1FLT3GSK3BCCNKCDK12
SCHEMBL1647353 0.76 BACE1 (0.60) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1647351 0.76 BACE1 (0.60) PTGS2HDAC3HDAC4HDAC1HDAC7

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
CN-102046575-B Therapeutic agent for alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-10-29 CN disclosed
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 CN 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 CYP19A1 2154/4885FLT3 4562/4885GSK3B 1197/4885

“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.