SCHEMBL4918048

SCHEMBL4918048

O=C(Nc1nc2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.74
▸ NPC1 O15118 7/20 0.74
▸ DHODH Q02127 1/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ MMP13 P45452 2/20 0.60
▸ SCD O00767 1/20 0.60
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ MAPT P10636 3/20 0.59
▸ CNR1 P21554 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ KLF5 Q13887 1/20 0.53

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) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL4911825 0.84 DHODH (1.00) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL5733198 0.83 MAPT (0.72) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL17770342 0.81 DHODH (0.76) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL5731624 0.81 MAPT (0.69) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL4910888 0.80 KMT2A (0.71) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL4920918 0.78 RAB9A (0.80) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4916732 0.77 NPC1 (0.74) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL4912955 0.76 DHODH (0.76) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1
SCHEMBL30553332 0.76 NPC1 (0.78) RAB9ANPC1DHODHSMN1; SMN2ALDH1A1

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 1713/4885DHODH 570/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885DHODH 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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