SCHEMBL582235

SCHEMBL582235

O=C(O)c1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.60
CTSL P07711 5/20 0.60
POLB P06746 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FOLH1 Q04609 1/20 0.47
PTGES O14684 2/20 0.46
NPC1 O15118 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CYP19A1 P11511 1/20 0.46
PTGER1 P34995 1/20 0.45

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
SCHEMBL31235825 1.00 CTSV (0.60) CTSVCTSLPOLBSENP8SENP7
SCHEMBL8316504 0.89 CTSV (0.61) CTSVCTSLPOLBSENP8SENP7
SCHEMBL28257932 0.88 CTSV (0.63) CTSVCTSLPOLBSENP8SENP7
SCHEMBL11922562 0.88 CTSV (0.53) CTSVCTSLL3MBTL1NPC1CYP19A1
SCHEMBL5065157 0.87 CTSV (0.50) CTSVCTSLPOLBSENP8SENP7
SCHEMBL2682298 0.86 CTSV (0.49) CTSVCTSLPOLBPTGESCYP19A1
SCHEMBL4222265 0.86 CTSV (0.58) CTSVCTSLPOLBSENP8SENP7
SCHEMBL1137268 0.85 PTGES (0.57) CTSVCTSLPOLBPTGESNPC1
SCHEMBL13504298 0.85 CTSV (0.54) CTSVCTSLPOLBPTGESMRGPRX4
SCHEMBL19035902 0.85 CTSV (0.57) CTSVCTSLPOLBSENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
CN-106068262-A Quinazoline derivant and preparation method thereof and in application pharmaceutically 四川海思科制药有限公司 2016-11-02 CN disclosed
WO-2015154725-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF 四川海思科制药有限公司 2015-10-15 WO disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
EP-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US 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 (2 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B CTSV 877/4885CTSL 978/4885POLB 15/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CTSV 948/4885CTSL 1316/4885POLB 11/4885

“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.