SCHEMBL4909104

SCHEMBL4909104

O=C(Nc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.76
DYRK1A Q13627 2/20 0.68
DYRK1B Q9Y463 1/20 0.68
MAPT P10636 9/20 0.65
KMT2A Q03164 7/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MEN1 O00255 5/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 4/20 0.63
POLB P06746 3/20 0.63
HDAC6 Q9UBN7 1/20 0.63
ACP1 P24666 2/20 0.62
ALDH1A1 P00352 3/20 0.62
STAT1 P42224 1/20 0.61
MCL1 Q07820 1/20 0.61

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
SCHEMBL6295875 0.93 CXCR2 (0.79) CXCR2DYRK1AMAPTKMT2ANPC1
SCHEMBL21568316 0.89 CXCR2 (0.67) CXCR2DYRK1ADYRK1BMAPTKMT2A
SCHEMBL21858366 0.88 CXCR2 (0.72) CXCR2DYRK1ADYRK1BMAPTKMT2A
SCHEMBL26034880 0.88 CXCR2 (0.83) CXCR2DYRK1AMAPTKMT2ANPC1
SCHEMBL27093075 0.88 CXCR2 (0.72) CXCR2DYRK1AMAPTKMT2ANPC1
SCHEMBL21858356 0.88 CXCR2 (0.69) CXCR2DYRK1ADYRK1BMAPTKMT2A
SCHEMBL21858353 0.88 CXCR2 (0.82) CXCR2DYRK1ADYRK1BMAPTKMT2A
SCHEMBL31206289 0.88 CXCR2 (0.69) CXCR2DYRK1ADYRK1BMAPTKMT2A
SCHEMBL6302178 0.87 DYRK1A (0.63) CXCR2DYRK1AMAPTKMT2ANPC1
SCHEMBL21858369 0.86 CXCR2 (1.00) CXCR2DYRK1AMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Institut National de la Santé et de la Recherche Médicale (FR) 2024-06-20 US claimed
EP-4322944-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Centre National de la Recherche Scientifique (FR) 2024-02-21 EP claimed
WO-2022219123-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-20 WO claimed
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 EP claimed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US claimed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO claimed
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Institut National de la Santé et de la Recherche Médicale (FR) 2024-06-20 US disclosed
EP-4322944-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Centre National de la Recherche Scientifique (FR) 2024-02-21 EP disclosed
WO-2022219123-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-20 WO disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US disclosed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 CXCR2 4435/4885DYRK1A 3003/4885DYRK1B 3005/4885
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA UACA, SLC14A1, MITF CXCR2 3902/4885DYRK1A 4119/4885DYRK1B 3759/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 CXCR2 4220/4885DYRK1A 1473/4885DYRK1B 1584/4885

“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.