SCHEMBL4801769

SCHEMBL4801769

C[CH]c1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41

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
SCHEMBL711416 0.80 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5950483 0.80 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16959759 0.80 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29951214 0.80 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5950486 0.80 TP53 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28600341 0.78 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6643752 0.78 CYP1A1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2186055 0.77 TP53 (0.40) NPC1RAB9ACYP1A2ALDH1A1TP53
SCHEMBL83808 0.77 MAPT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11044905 0.77 PTGS2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-5229410-A 6-substituted-hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1993-07-20 US disclosed
US-5229409-A Antidepressant, tranquilizer ELI LILLY AND COMPANY (US) 1993-07-20 US disclosed
CN-1066071-A 6-heterocyclic radical-4-amino-1,2,2a, 3,4, the 5-hexahydrobenzene is [cd] indoles also LILLY CO ELI (US) 1992-11-11 CN disclosed
EP-0506363-A1 6-Heterocyclic-4-amino-1,3,4,5-tetrahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
EP-0506369-A1 6-Heterocyclic-4-amino-1,2,2a,3,4,5-hexahydrobenz[CD]indoles ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
EP-0471569-A1 6-Substituted-hexahydrobenz (CD) indoles ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0471515-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0471576-A1 6-substituted-tetrahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0444854-A2 6-Substituted hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS TUBB4A 1869/4885TUBB 1806/4885TUBA3C 1411/4885
US-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH TUBB4A 1909/4885TUBB 2088/4885TUBA3C 299/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 TUBB4A 807/4885TUBB 743/4885TUBA3C 275/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH TUBB4A 1767/4885TUBB 1979/4885TUBA3C 246/4885

“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.