SCHEMBL16596408

SCHEMBL16596408

FC(F)(F)Sc1cccc(-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.44
KCNH2 Q12809 1/20 0.43
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
LTA4H P09960 1/20 0.41
CFTR P13569 1/20 0.40
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ERN1 O75460 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL16596405 0.86 LTA4H (0.47) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL1334921 0.77 KCNH2 (0.59) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL1464252 0.74
SCHEMBL16596571 0.73 SNCA (0.44) KCNH2CYP3A4CFTRKDM4EALDH1A1
SCHEMBL154838 0.73 CNR2 (0.50) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL27709556 0.72 CYP3A4 (0.60) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL151253 0.72 MAPT (0.51) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL31124 0.70 CYP3A4 (0.58) PRMT6KCNH2CYP2E1CYP3A4CYP2A6
SCHEMBL154628 0.70 LTA4H (0.53) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL28163372 0.70 KCNH2 (0.52) PRMT6KCNH2CYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048107-B1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME FUTURE INK CORP (JP) 2021-01-13 EP disclosed
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
EP-3048107-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME UBE Industries, Ltd. (JP) 2016-07-27 EP 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 PRMT6 2151/4885KCNH2 872/4885CYP2E1 8/4885

“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.