SCHEMBL4912902

SCHEMBL4912902

COc1ccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.64
▸ KDM4E B2RXH2 6/20 0.64
▸ LMNA P02545 5/20 0.64
▸ TDP1 Q9NUW8 4/20 0.64
▸ MAPT P10636 5/20 0.62
▸ SCD O00767 2/20 0.62
▸ NPC1 O15118 10/20 0.62
▸ RAB9A P51151 10/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ BLM P54132 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ NFKB1 P19838 2/20 0.62
▸ NFKB2 Q00653 2/20 0.62
▸ RELA Q04206 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 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
SCHEMBL4920831 0.92 SCD (0.72) TP53KDM4ELMNATDP1MAPT
SCHEMBL14807738 0.81 SCD (0.74) TP53KDM4ESCDNPC1RAB9A
SCHEMBL4923421 0.81 SMN1; SMN2 (0.68) TP53KDM4ELMNATDP1MAPT
SCHEMBL14270505 0.78 NPC1 (0.76) TP53KDM4ETDP1MAPTSCD
SCHEMBL17916669 0.77 SCD (1.00) TP53KDM4ELMNAMAPTSCD
SCHEMBL17168465 0.76 KDM4E (1.00) TP53KDM4ELMNATDP1MAPT
SCHEMBL16554319 0.76 SCD (0.75) KDM4ETDP1SCDNPC1RAB9A
SCHEMBL31061590 0.76 DYRK1A (1.00) TP53KDM4ETDP1MAPTSCD
SCHEMBL14270507 0.75 SCD (0.65) TP53KDM4EMAPTSCDNPC1
SCHEMBL31243 0.75 SCD (1.00) KDM4ETDP1SCDNPC1RAB9A

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 9 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-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 — — 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 (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-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE TP53 736/4885KDM4E 749/4885LMNA 3505/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 TP53 189/4885KDM4E 318/4885LMNA 3900/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 TP53 530/4885KDM4E 391/4885LMNA 3527/4885

“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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