SCHEMBL1048773

SCHEMBL1048773

Cc1cc(N)c(NCCCc2ccccn2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
APP P05067 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HRH1 P35367 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.40
PKM P14618 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 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
SCHEMBL17735529 0.81 MAPT (0.55) GSK3AGSK3BAPPHRH3HRH1
SCHEMBL1048663 0.79 PKM (0.60) GSK3AGSK3BAPPHRH3ALDH1A1
SCHEMBL2571205 0.79 HDAC6 (0.71) HDAC6TDP1RAB9ASMN1; SMN2NPC1
SCHEMBL1053111 0.75 HDAC6 (0.51) GSK3AGSK3BHDAC6HRH1ALDH1A1
SCHEMBL6187553 0.74 CYP1A2 (0.51) APPHRH3HRH1ALDH1A1LMNA
SCHEMBL2575078 0.73 HDAC6 (0.46) HDAC6ALDH1A1TAAR1CYP1A2CYP2C19
SCHEMBL17307676 0.73 GSK3A (0.52) GSK3AGSK3BAPPHRH3HRH1
SCHEMBL29736848 0.72 CYP1A2 (0.60) APPHRH3ALDH1A1LMNATAAR1
SCHEMBL3993461 0.72 CYP1A2 (0.60) APPHRH3HRH1ALDH1A1LMNA
SCHEMBL6191801 0.71 RAB9A (0.56) APPHRH3ALDH1A1LMNATAAR1

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS GSK3A 4344/4885GSK3B 4010/4885APP 4121/4885

“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.