SCHEMBL4885733

SCHEMBL4885733

Cc1ccc([N+](=O)[O-])cc1Nc1ccnc(-c2cncnc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.41
ROCK1 Q13464 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT2B Q92831 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NFKBIA P25963 1/20 0.36
RELA Q04206 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
SCHEMBL4885726 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1ROCK1GAA
SCHEMBL3569040 0.75 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAROCK1
SCHEMBL3554974 0.73 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL28949886 0.72 ALDH1A1 (0.54) CYP3A4KMT2AALDH1A1LMNAGAA
SCHEMBL13316448 0.71 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4897484 0.71 ABL1 (0.52) ALDH1A1GAAMAPT
SCHEMBL3564749 0.70 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2572266 0.70 ABL1 (0.55) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4737145 0.70 ALDH1A1 (0.55) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL24885815 0.69 ALDH1A1 (0.52) ALDH1A1GAAMAPTNFKBIARELA

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 CYP3A4 2085/4885MEN1 168/4885CYP1A2 1194/4885

“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.