SCHEMBL1053111

SCHEMBL1053111

Cc1cc(N)c(NCCCc2cccnc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
GSK3A P49840 4/20 0.50
GSK3B P49841 4/20 0.50
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACP1 P24666 3/20 0.46
HRH1 P35367 2/20 0.46
NOS1 P29475 1/20 0.46
PTAFR P25105 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CHRNA7 P36544 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL2571205 0.83 HDAC6 (0.71) HDAC6TDP1L3MBTL1MEN1KMT2A
SCHEMBL1052684 0.79 GSK3A (0.48) GSK3AGSK3BPTAFRALDH1A1
SCHEMBL9359111 0.76 TDP1 (0.53) GSK3AGSK3BCYP2A6TDP1L3MBTL1
SCHEMBL2564214 0.75 HDAC6 (0.52) HDAC6GSK3AGSK3B
SCHEMBL6190093 0.75 ALDH1A1 (0.53) GSK3AGSK3BCYP2A6TDP1L3MBTL1
SCHEMBL1048773 0.75 GSK3A (0.49) HDAC6GSK3AGSK3BTDP1HRH1
Hydrochloric Acid SCHEMBL10680127 0.75 HRH1 (0.54) GSK3AGSK3BCYP2A6TDP1L3MBTL1
SCHEMBL8252366 0.73 KDM6B (0.60) HDAC6KDM6BKDM4C
SCHEMBL2566149 0.73 HDAC6 (0.64) HDAC6MEN1KMT2A
SCHEMBL30102382 0.73 HDAC8 (0.46) HDAC6GSK3AGSK3BTDP1L3MBTL1

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-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

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 HDAC6 2571/4885GSK3A 4344/4885GSK3B 4010/4885

“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.