SCHEMBL5469340

SCHEMBL5469340

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(N[C@@H](CO)c3ccccc3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
BDKRB2 P30411 1/20 0.39
EGFR P00533 3/20 0.37
DOT1L Q8TEK3 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL5179797 1.00 BDKRB1 (0.39) BDKRB1BDKRB2EGFRDOT1LALDH1A1
SCHEMBL5179791 1.00 BDKRB1 (0.39) BDKRB1BDKRB2EGFRDOT1LALDH1A1
SCHEMBL5167389 0.88 MAPT (0.35) EGFRALDH1A1MAPT
SCHEMBL5168055 0.87 BDKRB1 (0.43) BDKRB1ALDH1A1MAPTKMT2ANPC1
SCHEMBL5165860 0.87 CA12 (0.38) BDKRB1ALDH1A1MAPTNPC1POLB
SCHEMBL5166116 0.86 CA12 (0.37) ALDH1A1MAPTNPC1POLBGAA
SCHEMBL5179039 0.86 CA12 (0.37) ALDH1A1MAPTNPC1POLBGAA
SCHEMBL13558996 0.85 EGFR (0.38) EGFRIDO1TDO2
SCHEMBL5460988 0.84 CA12 (0.36) ALDH1A1MAPTNPC1POLBGAA
SCHEMBL5168506 0.84 MAPT (0.43) BDKRB1ALDH1A1MAPTNPC1POLB

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-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 BDKRB1 2018/4885BDKRB2 734/4885EGFR 3911/4885

“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.