SCHEMBL4909780

SCHEMBL4909780

O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 1.00
▸ RAB9A P51151 7/20 0.74
▸ NPC1 O15118 5/20 0.74
▸ ALDH1A1 P00352 2/20 0.62
▸ SCD O00767 3/20 0.60
▸ MMP13 P45452 1/20 0.60
▸ POLB P06746 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ PKM P14618 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ DDX3X O00571 1/20 0.51

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
SCHEMBL4910770 0.86 RAB9A (1.00) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL4920918 0.83 RAB9A (0.80) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL28481031 0.78 RAB9A (0.80) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL4916595 0.77 ALDH1A1 (1.00) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL23529381 0.76 RAB9A (0.70) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL4918048 0.75 RAB9A (0.74) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL4919533 0.75 SCD (1.00) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL16562255 0.74 SCD (0.76) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL4915916 0.74 RAB9A (0.83) KDM4ERAB9ANPC1ALDH1A1SCD
SCHEMBL11008435 0.74 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1SCD

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
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-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 (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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 KDM4E 318/4885RAB9A 3792/4885NPC1 1713/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 KDM4E 391/4885RAB9A 3771/4885NPC1 3462/4885

“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.

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