SCHEMBL4526183

SCHEMBL4526183

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
POLB P06746 2/20 0.49
SIRT6 Q8N6T7 1/20 0.47
SNCA P37840 2/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4522567 0.87 POLB (0.64) GPR35POLBSNCAHSD17B10ALOX15
SCHEMBL14938607 0.81 MAPT (0.57) POLBHSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL30279826 0.81 GPR35 (0.56) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL4962677 0.81 GPR35 (0.56) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL8063487 0.81 GPR35 (0.56) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL9198508 0.80 SNCA (0.62) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL8292761 0.80 TDP1 (0.53) POLBSIRT6ALOX15SMN1; SMN2MAPT
SCHEMBL19182429 0.80 GPR35 (0.47) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL2345266 0.79 GPR35 (0.58) GPR35POLBSIRT6SNCACYP2C9
SCHEMBL13179034 0.78 GSR (0.41) POLBSMN1; SMN2MAPTALDH1A1

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 3 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

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 GPR35 1059/4885POLB 2260/4885SIRT6 717/4885

“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.