SCHEMBL4522567

SCHEMBL4522567

CN(C)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL4526183 0.87 GPR35 (0.51) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL5913394 0.81 ALDH1A1 (0.51) POLBMAPK1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1025776 0.81 POLB (0.56) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL346032 0.81 POLB (0.65) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL69585 0.80 SNCA (0.62) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL11002820 0.80 MAPK1 (0.60) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL30477507 0.80 SNCA (0.62) POLBMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL5913449 0.80 PDK1 (0.47) POLBALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL15156898 0.80 TSHR (0.54) POLBALDH1A1SMN1; SMN2TSHRGPR35
SCHEMBL5913237 0.80 VCAM1 (0.54) POLBALDH1A1MAPTKDM4EAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-0396642-B1 ENZYME CONTROLLED RELEASE SYSTEM POLAROID CORP (US) 1994-05-11 EP disclosed
US-5112739-A Quinone-methide elimination POLAROID CORPORATION (US) 1992-05-12 US disclosed
EP-0396642-A1 ENZYME CONTROLLED RELEASE SYSTEM. POLAROID CORP (US) 1990-11-14 EP disclosed
WO-1990001558-A1 ENZYME CONTROLLED RELEASE SYSTEM POLAROID CORPORATION (US) 1990-02-22 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 POLB 2260/4885MAPK1 1135/4885ALDH1A1 2449/4885

“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.