SCHEMBL1099111

SCHEMBL1099111

O=[N+]([O-])c1cc(F)cc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TSHR P16473 3/20 0.40
CYP19A1 P11511 1/20 0.40
TTR P02766 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL561018 0.86 CYP19A1 (0.48) TSHRCYP19A1TTRMEN1HTT
SCHEMBL716259 0.86 CYP19A1 (0.54) TSHRCYP19A1TTRMEN1HTT
SCHEMBL13722667 0.85 TSHR (0.55) TSHRCYP19A1MEN1HTTKMT2A
SCHEMBL16327649 0.82 CYP19A1 (0.41) TSHRCYP19A1MEN1HTTKMT2A
SCHEMBL25409851 0.82 CYP4F2 (0.45) CYP4F2CYP4A11TTRMEN1HTT
SCHEMBL30508505 0.82 CYP4F2 (0.45) CYP4F2CYP4A11TTRMEN1HTT
SCHEMBL1098949 0.81 CYP19A1 (0.40) TSHRCYP19A1MEN1HTTKMT2A
SCHEMBL31459087 0.80 CYP1A2 (0.45) CYP19A1CYP3A4SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15542207 0.79 CYP19A1 (0.39) TSHRCYP19A1MEN1HTTKMT2A
SCHEMBL1172437 0.79 CYP19A1 (0.55) TSHRCYP19A1TTRMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101072758-B Quinazoline derivatives ASTRAZENECA AB 2013-07-31 CN disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
CN-101072758-A Quinazoline derivatives ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CYP4F2 1234/4885CYP4A11 739/4885TSHR 2524/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 CYP4F2 939/4885CYP4A11 585/4885TSHR 2276/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 CYP4F2 1099/4885CYP4A11 576/4885TSHR 2496/4885

“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.