SCHEMBL5733198

SCHEMBL5733198

O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ DHODH Q02127 1/20 0.71
▸ MMP13 P45452 2/20 0.68
▸ SCD O00767 1/20 0.68
▸ NPC1 O15118 6/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ TP53 P04637 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CTDSP1 Q9GZU7 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
SCHEMBL5731624 0.91 MAPT (0.69) MAPTKMT2ADHODHMMP13SCD
SCHEMBL12980369 0.84 HPGD (0.61) MAPTKMT2ADHODHNPC1RAB9A
SCHEMBL4911825 0.83 DHODH (1.00) MAPTKMT2ADHODHNPC1RAB9A
SCHEMBL26034884 0.83 MAPT (1.00) MAPTKMT2AMMP13SCDNPC1
SCHEMBL4916716 0.83 SCD (0.73) MAPTKMT2AMMP13SCDNPC1
SCHEMBL4918048 0.83 RAB9A (0.74) MAPTKMT2ADHODHMMP13SCD
SCHEMBL7129461 0.82 DYRK1A (0.70) MAPTKMT2AMMP13SCDNPC1
SCHEMBL2243928 0.81 DHODH (0.78) MAPTKMT2ADHODHSCDNPC1
SCHEMBL30576813 0.81 DHODH (0.78) KMT2ADHODHNPC1RAB9AALDH1A1
SCHEMBL26606545 0.81 DHODH (0.78) KMT2ADHODHNPC1RAB9AALDH1A1

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 7 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
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 MAPT 426/4885KMT2A 1419/4885DHODH 570/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 MAPT 1955/4885KMT2A 1591/4885DHODH 837/4885

“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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