SCHEMBL2753849

SCHEMBL2753849

CCCCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ SCD O00767 6/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ NFKB2 Q00653 2/20 0.64
▸ RELA Q04206 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ CASP3 P42574 4/20 0.62
▸ SENP8 Q96LD8 4/20 0.62
▸ SENP7 Q9BQF6 4/20 0.62
▸ SENP6 Q9GZR1 4/20 0.62
▸ PCSK9 Q8NBP7 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL4914934 0.95 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2753278 0.93 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2754049 0.88 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4916806 0.86 SCD (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4910923 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4917979 0.82 SCD (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4917474 0.82 SCD (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4919472 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4910843 0.81 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3053529 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 30 patents — showing the first 20. 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-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 — — US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 — — US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 — — US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 — — US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 — — US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 — — 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-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-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 (5 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 3792/4885SMN1; SMN2 3684/4885
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 4564/4885SMN1; SMN2 2817/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885SMN1; SMN2 4114/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 NPC1 23/4885RAB9A 2028/4885SMN1; SMN2 4815/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 NPC1 24/4885RAB9A 2038/4885SMN1; SMN2 4815/4885

“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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