SCHEMBL4885726

SCHEMBL4885726

Cc1ccc([N+](=O)[O-])cc1Nc1ccnc(-c2cncnc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.40
ROCK1 Q13464 2/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PRKCA P17252 1/20 0.38
KAT2B Q92831 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4885733 0.86 CYP3A4 (0.47) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL3554974 0.84 ALDH1A1 (0.48) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL3564749 0.81 ALDH1A1 (0.49) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL2572266 0.80 ABL1 (0.55) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL3569040 0.79 ALDH1A1 (0.55) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL14146775 0.79 ALDH1A1 (0.59) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL783033 0.76 MAPK10 (0.49) ALDH1A1GAAABL1EGFRBCR
SCHEMBL4264785 0.76 KARS1 (0.54) ALDH1A1GAAKMT2AMEN1ABL1
SCHEMBL3562948 0.76 CYP1A2 (0.47) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL13316448 0.74 ALDH1A1 (0.56) ALDH1A1GAAMAPTHTTSMN1; SMN2

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-20080146570-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-06-19 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-20080146570-A1 Chemical Compounds BRAF, RAF1, NRAS ALDH1A1 260/4885GAA 2787/4885MAPT 3149/4885

“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.