SCHEMBL4918014

SCHEMBL4918014

O=C(Nc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 1.00
EPHX2 P34913 2/20 0.70
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ADORA1 P30542 1/20 0.56
DYRK1A Q13627 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL13778842 0.84 CNR1 (0.72) CNR1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL30944393 0.83 CNR1 (0.71) CNR1EPHX2NPC1RAB9AMEN1
SCHEMBL30944353 0.83 CNR1 (0.70) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL28529053 0.83 CNR1 (0.70) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL1548977 0.82 CNR1 (0.68) CNR1EPHX2NPC1RAB9AMEN1
SCHEMBL4920969 0.80 NPC1 (0.75) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL963747 0.79 CLK1 (0.76) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL4252999 0.79 CNR1 (0.64) CNR1EPHX2NPC1RAB9AMEN1
SCHEMBL29432459 0.79 CNR1 (0.64) CNR1EPHX2NPC1RAB9AMEN1
SCHEMBL30944323 0.78 CNR1 (0.64) CNR1EPHX2NPC1RAB9AMEN1

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 CNR1 4097/4885EPHX2 3037/4885NPC1 1713/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 CNR1 3408/4885EPHX2 1294/4885NPC1 3462/4885

“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.