SCHEMBL16596405

SCHEMBL16596405

FC(F)(F)Sc1ccc(-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDK2 Q15119 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPRZ1 P23471 2/20 0.40
ERN1 O75460 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
KIF11 P52732 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL16596408 0.86 PRMT6 (0.44) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL338810 0.77 LTA4H (0.70) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL154628 0.76 LTA4H (0.53) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL7455134 0.75 LTA4H (0.67) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL402734 0.75 LTA4H (0.52) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL8002483 0.75 KIF11 (0.56) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL28154361 0.73 LTA4H (0.50) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL1464252 0.72
SCHEMBL16546585 0.72 LTA4H (0.48) LTA4HKCNH2KDM4EALDH1A1TDP1
SCHEMBL5620006 0.71 ALDH1A1 (0.54) KDM4EALDH1A1TDP1PTPN1PTPRZ1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9978954-B2 Benzobis (thiadiazole) derivative, ink comprising same, and organic electronic device comprising same UBE INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME FUTURE INK CORPORATION (JP) 2016-09-22 US disclosed
US-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME FUTURE INK CORPORATION (JP) 2016-09-22 US disclosed
WO-2015041026-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME 宇部興産株式会社 2015-03-26 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 (1 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-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME BRD3, TH, BRS3 LTA4H 1638/4885KCNH2 872/4885KDM4E 2551/4885

“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.