SCHEMBL5477013

SCHEMBL5477013

Cc1ccc(Oc2cccc([N+](=O)[O-])c2C)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL29229957 0.80 TDP1 (0.69) TDP1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL4718853 0.79 TDP1 (0.58) TDP1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL9049414 0.78 TDP1 (0.53) TDP1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL641410 0.78 MAPT (0.46) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4224390 0.75 TSHR (0.50) TDP1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL24167927 0.75 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL257933 0.73 LMNA (0.54) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL177869 0.73 HTT (0.58) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL29888161 0.72 MEN1 (0.53) TDP1ALDH1A1MAPTTSHRKDM4E
SCHEMBL216106 0.72 MEN1 (0.53) TDP1ALDH1A1MAPTTSHRKDM4E

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-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR TDP1 2695/4885ALDH1A1 2621/4885MAPT 3525/4885

“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.