SCHEMBL4918045

SCHEMBL4918045

O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 1.00
▸ NPC1 O15118 7/20 1.00
▸ KDM4E B2RXH2 4/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ GLA P06280 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ MEN1 O00255 8/20 0.69
▸ KMT2A Q03164 8/20 0.69
▸ CASP3 P42574 2/20 0.69
▸ SENP8 Q96LD8 2/20 0.69
▸ SENP7 Q9BQF6 2/20 0.69
▸ SENP6 Q9GZR1 2/20 0.69
▸ POLB P06746 3/20 0.69
▸ SCD O00767 1/20 0.62
▸ MMP13 P45452 1/20 0.62
▸ TNF P01375 1/20 0.62
▸ CRHBP P24387 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ NOD2 Q9HC29 1/20 0.62

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
SCHEMBL2115301 0.88 RAB9A (0.79) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL2114646 0.85 KMT2A (0.88) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL2116597 0.83 MEN1 (0.77) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL16689142 0.82 NPC1 (0.70) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL15281360 0.82 MEN1 (1.00) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL16562118 0.82 RAB9A (1.00) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5732234 0.80 NPC1 (0.70) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL31701598 0.80 RAB9A (0.66) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL6428212 0.79 KMT2A (0.73) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL17856947 0.79 KMT2A (0.92) RAB9ANPC1KDM4EL3MBTL1MAPT

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

“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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