SCHEMBL935372

SCHEMBL935372

FC(F)(F)c1cc(-c2cccs2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
KCNH2 Q12809 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDK2 Q15119 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ACLY P53396 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
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
JUN P05412 1/20 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
SCHEMBL21944872 0.88 ERN1 (0.50) ERN1KCNH2CNR1CNR2SMN1; SMN2
SCHEMBL154838 0.86 CNR2 (0.50) ERN1KCNH2CNR2SMN1; SMN2MAPT
SCHEMBL18002204 0.84 ERN1 (0.53) ERN1KCNH2CNR1CNR2SMN1; SMN2
SCHEMBL154628 0.83 LTA4H (0.53) ERN1KCNH2SMN1; SMN2MAPTPDK2
SCHEMBL8002483 0.82 KIF11 (0.56) ERN1KCNH2PDK2CYP2E1CYP3A4
SCHEMBL20595524 0.80 KCNH2 (0.48) ERN1KCNH2MAPTKDM4ECYP2E1
SCHEMBL4338418 0.78 KCNH2 (0.58) ERN1KCNH2MAPTKDM4ECYP2E1
SCHEMBL1334921 0.73 KCNH2 (0.59) ERN1KCNH2MAPTKDM4ECYP2E1
SCHEMBL15203026 0.73 KCNH2 (0.50) ERN1KCNH2SMN1; SMN2MAPTPDK2
SCHEMBL788391 0.72 MAPT (0.54) ERN1KCNH2SMN1; SMN2MAPTKDM4E

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 10 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
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
EP-2454261-B1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIV SIENA (IT) 2014-11-19 EP disclosed
US-8546147-B2 Imidazo[1,2-α]pyrazin-3(7H)-one derivatives bearing a new electron-rich structure UNIVERSITA DEGLI STUDI DI SIENA (IT) 2013-10-01 US disclosed
US-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2012-07-05 US disclosed
EP-2454261-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE Universita Degli Studi di Siena (IT) 2012-05-23 EP disclosed
WO-2011007314-A1 IMIDAZO[1,2-α]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2011-01-20 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 (2 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 ERN1 626/4885KCNH2 872/4885CNR1 3035/4885
US-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE GLB1, NDUFV1, IK ERN1 1744/4885KCNH2 735/4885CNR1 1195/4885

“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.