SCHEMBL6290909

SCHEMBL6290909

COc1cc2c(cc1N)CC(C)=NN=C2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
GRIA2 P42262 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 3/20 0.44
APP P05067 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.41
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL10886471 0.91 APP (0.51) HTTTDP1KMT2AMEN1MAPT
SCHEMBL7606361 0.88 APP (0.43) HTTTDP1KMT2AMEN1MAPT
SCHEMBL7609618 0.88 APP (0.43) HTTTDP1KMT2AMEN1MAPT
SCHEMBL6293666 0.85 ALDH1A1 (0.60) TDP1KMT2AMEN1MAPTCYP1A2
SCHEMBL6290864 0.80 ALDH1A1 (0.60) TDP1KMT2AMEN1MAPTCYP1A2
SCHEMBL7498251 0.79 KMT2A (0.44) HTTTDP1KMT2AMEN1MAPT
SCHEMBL6935103 0.79 MAPT (0.44) HTTTDP1KMT2AMEN1MAPT
SCHEMBL7439628 0.79 PDE4D (0.44) KMT2AMEN1MAPTALDH1A1APP
SCHEMBL6937957 0.78 MAPT (0.44) HTTTDP1KMT2AMEN1MAPT
SCHEMBL6935668 0.78 MAPT (0.44) HTTTDP1KMT2AMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887867-B2 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors TRANSGENOMIC, INC. (US) 2005-05-03 US disclosed
US-20020025958-A1 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors TRANSGENOMIC, INC. 2002-02-28 US 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-20020025958-A1 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors GRIN2A, GRIN3A, GABRE HTT 2267/4885TDP1 3937/4885KMT2A 719/4885

“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.