SCHEMBL4909101

SCHEMBL4909101

O=C(Nc1nc2ccccc2s1)C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 4/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
MAOA P21397 1/20 0.70
MAOB P27338 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.68
KDM4E B2RXH2 2/20 0.68
GFER P55789 1/20 0.68
CYP1A2 P05177 1/20 0.67
GAA P10253 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPK1 P28482 2/20 0.64
TP53 P04637 2/20 0.64
S1PR1 P21453 1/20 0.64
CLK1 P49759 1/20 0.62

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
SCHEMBL6227837 0.96 GAA (0.68) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL880500 0.93 GAA (0.76) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1148016 0.86 GAA (0.64) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30945494 0.85 NPC1 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30944342 0.84 NPC1 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6072751 0.82 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1621733 0.81 MAOA (0.75) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30944302 0.81 NPC1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28529433 0.81 CASP3 (0.88) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30944295 0.81 CASP3 (0.88) NPC1RAB9AMEN1KMT2AALDH1A1

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 14 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
WO-2013043002-A1 IMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 WO 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-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
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US disclosed
EP-0912549-A4 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF UNIV TEXAS (US) 2002-01-02 EP disclosed
EP-0912549-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-05-06 EP disclosed
WO-1997048694-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-12-24 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 (3 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 3792/4885MEN1 3866/4885
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG NPC1 3040/4885RAB9A 4564/4885MEN1 694/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885MEN1 4194/4885

“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.