SCHEMBL6432066

SCHEMBL6432066

C=CCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE7A Q13946 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HCRTR1 O43613 1/20 0.38
S1PR4 O95977 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL8674454 0.73 ALDH1A1 (0.49) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL5164284 0.69 ALDH1A1 (0.54) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL9354607 0.69 ALDH1A1 (0.58) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL3050943 0.68 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL13012410 0.68 LSS (0.44) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL13748749 0.68 HTT (0.41) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL5201293 0.68 KMT2A (0.48) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL39946 0.67 ESR1 (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9818045 0.67 ESR1 (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
Benzene SCHEMBL27985319 0.67 ESR1 (0.44) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ALDH1A1 3334/4885MAPT 4300/4885TDP1 2237/4885

“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.