Sugi Predict

Sugi Predict / Compounds / SCHEMBL4909164

SCHEMBL4909164

SCHEMBL4909164

O=C(Nc1nc2ccc(Br)cc2s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.76
▸ SCD O00767 3/20 0.71
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 5/20 0.70
▸ MCL1 Q07820 1/20 0.70
▸ LRRK2 Q5S007 1/20 0.61
▸ DYRK1A Q13627 2/20 0.60
▸ MAPT P10636 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.57
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56

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
SCHEMBL16562175 0.85 NPC1 (0.79) MMP13SCDRAB9ANPC1MCL1
SCHEMBL26034899 0.84 NPC1 (0.77) MMP13SCDRAB9ANPC1MCL1
SCHEMBL7128296 0.84 NPC1 (0.77) MMP13SCDRAB9ANPC1MCL1
SCHEMBL2187627 0.83 NPC1 (0.80) MMP13SCDRAB9ANPC1MCL1
SCHEMBL4921041 0.83 SCD (1.00) MMP13SCDRAB9ANPC1MCL1
SCHEMBL14807437 0.83 MAP3K5 (0.68) SCDRAB9ANPC1LRRK2DYRK1A
SCHEMBL4919533 0.83 SCD (1.00) MMP13SCDRAB9ANPC1MCL1
SCHEMBL5089614 0.83 LRRK2 (0.70) SCDRAB9ANPC1LRRK2DYRK1A
SCHEMBL2191669 0.82 NPC1 (1.00) MMP13SCDRAB9ANPC1MCL1
SCHEMBL8290010 0.82 LRRK2 (0.64) SCDRAB9ANPC1LRRK2DYRK1A

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 6 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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 — — US 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 MMP13 4094/4885SCD 3790/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 MMP13 4021/4885SCD 3956/4885RAB9A 3771/4885

“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.