SCHEMBL4523716

SCHEMBL4523716

CC(C)COCCOc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PABPC1 P11940 2/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA5 P31644 1/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.39
SLC2A1 P11166 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL12173145 0.83 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL25696241 0.83 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL27924585 0.83 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL12173136 0.83 KMT2A (0.48) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL12173143 0.83 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL5004367 0.81 KMT2A (0.51) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL14669487 0.81 NPC1 (0.52) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL30980526 0.80 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL28074872 0.80 HSPB1 (0.47) HSPB1KMT2AMEN1PABPC1GAA
SCHEMBL17672793 0.79 HSPB1 (0.51) HSPB1KMT2AMEN1PABPC1GAA

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 HSPB1 4439/4885KMT2A 2980/4885MEN1 763/4885

“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.