SCHEMBL4798296

SCHEMBL4798296

C[CH]c1ccc(Br)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.44
NPFFR2 Q9Y5X5 3/20 0.44
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A3 P47895 2/20 0.34
TUBB1 Q9H4B7 3/20 0.33
NPC1 O15118 1/20 0.33
MTOR P42345 1/20 0.33
ALDH3A1 P30838 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL10871325 0.80 ALDH1A1 (0.50) ALDH1A1ALDH1A3TUBB1NPC1ALDH3A1
SCHEMBL27793545 0.78 VCP (0.50) ALDH1A1TRPA1ALDH1A3NPC1
SCHEMBL28239186 0.78 KDM1A (0.37) ALDH1A1TRPA1TUBB1
SCHEMBL29130913 0.75 TUBB1 (0.47) ALDH1A1TRPA1TUBB1NPC1TUBB4A
SCHEMBL29610150 0.74 ALDH1A3 (0.52) NPFFR1NPFFR2ALDH1A1ALDH1A3ALDH3A1
SCHEMBL2788648 0.74 ALDH1A1 (0.50) NPFFR1NPFFR2ALDH1A1TRPA1ALDH1A3
SCHEMBL16954355 0.74 NPFFR1 (0.48) NPFFR1NPFFR2TRPA1ALDH1A3NPC1
SCHEMBL870202 0.74 ALDH1A3 (0.52) NPFFR1NPFFR2ALDH1A1ALDH1A3ALDH3A1
SCHEMBL27596940 0.73 TAAR1 (0.36) NPFFR1NPFFR2ALDH1A1NPC1
SCHEMBL11041539 0.72 APEX1 (0.45)

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 7 patents. 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-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
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH NPFFR1 2105/4885NPFFR2 2716/4885ALDH1A1 654/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 NPFFR1 3193/4885NPFFR2 3721/4885ALDH1A1 279/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH NPFFR1 2023/4885NPFFR2 2593/4885ALDH1A1 683/4885

“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.