SCHEMBL4918623

SCHEMBL4918623

O=C(Nc1nc2ccccc2s1)c1sc2ccccc2c1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 1/20 0.77
▸ PTPN12 Q05209 1/20 0.77
▸ PTPN22 Q9Y2R2 1/20 0.77
▸ CASP3 P42574 3/20 0.65
▸ SENP8 Q96LD8 3/20 0.65
▸ SENP7 Q9BQF6 3/20 0.65
▸ SENP6 Q9GZR1 3/20 0.65
▸ SMN1; SMN2 Q16637 10/20 0.64
▸ NPC1 O15118 10/20 0.64
▸ RAB9A P51151 10/20 0.64
▸ MAPT P10636 8/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ MEN1 O00255 6/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ TP53 P04637 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ HTT P42858 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.62
▸ PRSS12 P56730 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
SCHEMBL17916672 0.87 PTPN7 (0.67) PTPN7PTPN12PTPN22CASP3SENP8
SCHEMBL4253115 0.83 PRSS12 (0.67) PTPN7PTPN12PTPN22CASP3SENP8
SCHEMBL4249984 0.82 PTPN7 (0.63) PTPN7PTPN12PTPN22CASP3SENP8
SCHEMBL4250099 0.79 MAPT (0.70) PTPN7PTPN12PTPN22SMN1; SMN2NPC1
SCHEMBL5935569 0.77 MAPT (0.79) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL30037193 0.77 NPC1 (0.70) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL12768123 0.77 NPC1 (0.70) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL17712419 0.77 RAB9A (0.61) PTPN7PTPN12PTPN22CASP3SENP8
SCHEMBL16062688 0.77 NPC1 (1.00) PTPN7PTPN12PTPN22CASP3SENP8
SCHEMBL4912955 0.77 DHODH (0.76) CASP3SENP8SENP7SENP6SMN1; SMN2

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 12 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
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 (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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 PTPN7 4505/4885PTPN12 4327/4885PTPN22 4307/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 PTPN7 1146/4885PTPN12 1507/4885PTPN22 1379/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 PTPN7 681/4885PTPN12 1209/4885PTPN22 1535/4885

“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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