SCHEMBL6445803

SCHEMBL6445803

C=CCOc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.49
HSPB1 P04792 3/20 0.48
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HTT P42858 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
SCHEMBL3884042 0.88 ALDH1A1 (0.49) L3MBTL1KMT2AHSPB1HTR2AHTR2C
SCHEMBL27778849 0.85 HSPB1 (0.48) L3MBTL1KMT2AHSPB1TDP1ATM
SCHEMBL29749978 0.83 ALDH1A1 (0.52) KMT2AHSPB1TDP1CYP1A2CYP3A4
SCHEMBL10714683 0.83 ALDH1A1 (0.52) KMT2AHSPB1TDP1CYP1A2CYP3A4
SCHEMBL28338065 0.82 CYP3A4 (0.40) KMT2ATDP1CYP1A2CYP3A4CYP2D6
SCHEMBL5644726 0.82 ALDH1A1 (0.50) KMT2ATDP1CYP1A2CYP3A4CYP2D6
SCHEMBL5640740 0.82 CYP1A2 (0.60) TDP1CYP1A2CYP3A4CYP2D6NPC1
SCHEMBL430707 0.81 RAB9A (0.66) L3MBTL1KMT2ATDP1NPC1RECQL
SCHEMBL3065551 0.81 ALDH1A1 (0.52) KMT2ATDP1CYP1A2CYP3A4CYP2D6
SCHEMBL27778855 0.80 NPC1 (0.51) L3MBTL1KMT2AHSPB1TDP1ATM

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
CN-103819343-B The preparation method of the fluoro-6-nitrophenols of compound 2-allyl group-4-and agricultural biological activity QINGDAO AGRICULTURAL UNIVERSITY (CN) 2016-03-23 CN disclosed
CN-103819343-A Preparation method of compound 2-allyl-4-fluoro-6-nitrophenol and agricultural bio-activity thereof UNIV QINGDAO AGRICULTURAL 2014-05-28 CN disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 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-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 L3MBTL1 2710/4885KMT2A 2442/4885HSPB1 2877/4885

“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.