SCHEMBL14896232

SCHEMBL14896232

COc1ccc([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GRIK1 P39086 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
SCHEMBL8114255 0.75 TSHR (0.45) TDP1LMNACYP3A4TSHRGRIN2D
SCHEMBL12174357 0.71 TSHR (0.45) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1329938 0.71 TSHR (0.45) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL14420767 0.70 ATAD2 (0.37) ALDH1A1TDP1LMNACYP3A4GRIN2D
SCHEMBL23723597 0.68 PDE3B (0.38) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9846127 0.68 MAPT (0.47) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5746546 0.67 CYP3A4 (0.41) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9337653 0.66 GPR84 (0.41) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL6679480 0.66 KDM4E (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL7316675 0.66 TSHR (0.40) ALDH1A1LMNACYP3A4TSHRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-12-06 US disclosed
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-12-06 US disclosed
US-20210061767-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-03-04 US disclosed
US-20210061767-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-03-04 US disclosed
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-11-10 US disclosed
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-11-10 US disclosed
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-12 US disclosed
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-12 US disclosed
US-9526732-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-27 US disclosed
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-12-31 US disclosed
EP-2771334-B1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RES & DEV (FR) 2015-08-19 EP disclosed
US-9090596-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-07-28 US disclosed
US-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-16 US disclosed
EP-2771334-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES Galderma Research & Development (FR) 2014-09-03 EP disclosed
WO-2013061005-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 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 (6 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-20210061767-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, DPYD, TYMP ALDH1A1 1672/4885TDP1 144/4885LMNA 2452/4885
US-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCL5 ALDH1A1 572/4885TDP1 1975/4885LMNA 4071/4885
US-10829457-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP ALDH1A1 1672/4885TDP1 144/4885LMNA 2452/4885
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCR1 ALDH1A1 618/4885TDP1 2381/4885LMNA 4095/4885
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP ALDH1A1 1672/4885TDP1 144/4885LMNA 2452/4885
US-20190276410-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, DPYD, TYMP ALDH1A1 1672/4885TDP1 144/4885LMNA 2452/4885

“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.