SCHEMBL2368386

SCHEMBL2368386

FC(F)(F)c1cc(-c2cccs2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.51
NOTUM Q6P988 10/20 0.47
KCNH2 Q12809 1/20 0.47
CASP3 P42574 1/20 0.47
IDO1 P14902 2/20 0.42
PDK2 Q15119 1/20 0.42
CYP1A2 P05177 1/20 0.42
LTA4H P09960 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
SCHEMBL16596476 0.86 ERN1 (0.48) ERN1KCNH2PDK2LTA4H
SCHEMBL1726249 0.80 KCNH2 (0.55) ERN1KCNH2PDK2LTA4H
SCHEMBL20169301 0.79 ERN1 (0.51) ERN1NOTUMKCNH2PDK2LTA4H
SCHEMBL28222643 0.79 ERN1 (0.51) ERN1KCNH2PDK2LTA4H
SCHEMBL11551200 0.79 COMT (0.41) ERN1NOTUMKCNH2CASP3CYP1A2
SCHEMBL2698021 0.79 NOTUM (0.61) NOTUMCASP3IDO1CYP1A2
SCHEMBL14082898 0.78 CSF1R (0.57)
SCHEMBL20169308 0.76 ERN1 (0.48) ERN1KCNH2PDK2LTA4H
SCHEMBL18304653 0.75 KCNH2 (0.50) ERN1KCNH2PDK2LTA4H
SCHEMBL1323041 0.75 KCNH2 (0.70) ERN1KCNH2LTA4H

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 12 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
EP-3386990-A1 THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF Cadent Therapeutics, Inc. (US) 2018-10-17 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-9978954-B2 Benzobis (thiadiazole) derivative, ink comprising same, and organic electronic device comprising same UBE INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
WO-2017100593-A1 THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO disclosed
WO-2017100599-A1 THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO 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
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 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 (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 ERN1 626/4885NOTUM 1677/4885KCNH2 872/4885

“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.