SCHEMBL4920969

SCHEMBL4920969

COc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.75
RAB9A P51151 10/20 0.75
CNR1 P21554 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTT P42858 1/20 0.63
DYRK1A Q13627 1/20 0.63
ITK Q08881 3/20 0.61
SCD O00767 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ATAD2 Q6PL18 1/20 0.60
CSNK1D P48730 1/20 0.59
CASP2 P42575 1/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 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
SCHEMBL28527319 0.87 CNR1 (0.64) NPC1RAB9ACNR1SMN1; SMN2CYP1A2
SCHEMBL30944323 0.87 CNR1 (0.64) NPC1RAB9ACNR1SMN1; SMN2CYP1A2
SCHEMBL30944425 0.86 NPC1 (0.67) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL30944320 0.86 DYRK1A (0.64) NPC1RAB9ACNR1SMN1; SMN2CYP1A2
SCHEMBL4919716 0.85 EPHX2 (0.67) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13778842 0.84 CNR1 (0.72) NPC1RAB9ACNR1SMN1; SMN2ALDH1A1
SCHEMBL30944353 0.83 CNR1 (0.70) NPC1RAB9ACNR1SMN1; SMN2CYP2C19
SCHEMBL28529053 0.83 CNR1 (0.70) NPC1RAB9ACNR1SMN1; SMN2CYP2C19
SCHEMBL28530232 0.82 NPC1 (0.59) NPC1RAB9ACNR1SMN1; SMN2CYP1A2
SCHEMBL963747 0.81 CLK1 (0.76) NPC1RAB9ACNR1SMN1; SMN2MEN1

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 NPC1 1713/4885RAB9A 3792/4885CNR1 4097/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885CNR1 3408/4885

“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.