SCHEMBL4920918

SCHEMBL4920918

Cc1c(C(=O)Nc2nc3ccccc3s2)cccc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.80
▸ NPC1 O15118 6/20 0.80
▸ KDM4E B2RXH2 1/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ MAPT P10636 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ BLM P54132 1/20 0.64
▸ MEN1 O00255 7/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ PKM P14618 1/20 0.62
▸ PAX8 Q06710 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ BACE1 P56817 1/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ SCD O00767 2/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ CYP2C9 P11712 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 2/20 0.55

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 0.89 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL12980417 0.84 MAPT (0.73) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL31665418 0.83 KMT2A (0.61) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4909780 0.83 KDM4E (1.00) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL12980452 0.81 MAPT (0.65) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL30553297 0.80 RAB9A (0.70) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL28481031 0.79 RAB9A (0.80) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL5732423 0.78 SCD (0.69) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL4918578 0.78 SCD (0.69) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL4918048 0.78 RAB9A (0.74) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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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