SCHEMBL4909148

SCHEMBL4909148

O=C(Nc1nc2ccccc2s1)c1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
HTT P42858 3/20 0.74
KDM4E B2RXH2 3/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
SCD O00767 4/20 0.73
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
LRRK2 Q5S007 1/20 0.70
DHODH Q02127 2/20 0.68
TOP1 P11387 2/20 0.67
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61

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
SCHEMBL14807922 0.89 NPC1 (0.78) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL12199320 0.86 HSD17B1 (0.81) HTTSCDLRRK2MAPTLMNA
SCHEMBL13329184 0.86 HSD17B1 (0.81) HTTSCDLRRK2MAPTLMNA
SCHEMBL24730431 0.85 LRRK2 (0.72) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL5445832 0.85 HPGDS (0.69) NPC1RAB9AHTTSCDSMN1; SMN2
SCHEMBL12199338 0.85 HPGDS (0.69) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL13329187 0.85 HPGDS (0.69) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL4915099 0.85 NPC1 (1.00) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL3053529 0.84 NPC1 (1.00) NPC1RAB9AHTTKDM4ENFKB1
SCHEMBL4919087 0.84 SCD (0.73) NPC1RAB9AHTTKDM4ENFKB1

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 16 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-2004078115-A2 BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA, INCORPORATED (US) 2004-09-16 WO claimed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 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
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 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
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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 (4 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 NPC1 6/4885RAB9A 2138/4885HTT 1510/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 NPC1 1713/4885RAB9A 3792/4885HTT 304/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885HTT 741/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH NPC1 595/4885RAB9A 1351/4885HTT 22/4885

“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.