SCHEMBL4430393

SCHEMBL4430393

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCC1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21473658 0.90 LMNA (0.48) KDM4EHTTPOLBLMNAABCB1
SCHEMBL30017059 0.90 LMNA (0.48) KDM4EHTTPOLBLMNAABCB1
SCHEMBL1614754 0.88 MAPT (0.49) KDM4EHTTPOLBLMNAABCB1
SCHEMBL8305831 0.83 EHMT2 (0.44) ALDH1A1EGFR
SCHEMBL8305629 0.82 POLB (0.42) HTTPOLBLMNAABCG2ALDH1A1
SCHEMBL4423936 0.82 HTR4 (0.51) KDM4EEGFR
SCHEMBL5027787 0.81 ABL1 (0.48) LMNAALDH1A1SMN1; SMN2EGFRMEN1
SCHEMBL22974948 0.80 SIRT6 (0.48) KDM4EPOLBLMNAALDH1A1MEN1
SCHEMBL2610746 0.78 POLB (0.54) KDM4EHTTPOLBLMNANPC1
SCHEMBL375897 0.78 PKM (0.59) KDM4EHTTPOLBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 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 (3 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-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 KDM4E 1632/4885HTT 3888/4885POLB 1484/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 KDM4E 1849/4885HTT 3297/4885POLB 2832/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KDM4E 3623/4885HTT 1814/4885POLB 3897/4885

“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.