SCHEMBL5414764

SCHEMBL5414764

C1=Cc2ccccc2NN=C1Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
GAA P10253 5/20 0.41
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX12 P18054 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33

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
SCHEMBL27801775 0.79 MAPT (0.43) MAPTGAARAB9A
SCHEMBL9385508 0.79 GAA (0.43) MAPTGAA
SCHEMBL31418592 0.74 GAA (0.33) MAPTGAA
SCHEMBL5412235 0.72 GAA (0.37) MAPTGAATSHRMAPK1KDM4E
SCHEMBL3733802 0.69 GAA (0.45) MAPTGAAALOX15LMNACYP3A4
SCHEMBL4788944 0.69 KCNH3 (0.38) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL11428738 0.68 GAA (0.48) MAPTGAA
SCHEMBL3113175 0.68 GAA (0.48) MAPTGAA
SCHEMBL3241604 0.68 MAPT (0.48) MAPTGAARAB9A
SCHEMBL1505206 0.68 GAA (0.48) MAPTGAA

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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 EP disclosed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 MAPT 4738/4885GAA 2957/4885HSD17B10 1249/4885

“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.