SCHEMBL16166554

SCHEMBL16166554

c1csc(-c2ccc3c(c2)Sc2cc(-c4cccs4)ccc2S3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ LTA4H P09960 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ PGR P06401 2/20 0.44
▸ SLC6A11 P48066 1/20 0.44
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ HDAC3 O15379 4/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL25028171 0.78 KCNH2 (0.46) KCNH2LTA4HERN1PRMT6HDAC1
SCHEMBL338810 0.77 LTA4H (0.70) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL7218287 0.76 KCNH2 (0.61) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL1334921 0.75 KCNH2 (0.59) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL7455134 0.74 LTA4H (0.67) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL4338418 0.74 KCNH2 (0.58) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL26259864 0.74 PGR (0.59) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL4563680 0.74 MEN1 (0.32) —
SCHEMBL19214021 0.73 SLC6A11 (0.54) KCNH2LTA4HERN1PGRSLC6A11
SCHEMBL23312079 0.72 PGR (0.57) KCNH2LTA4HERN1PGRSLC6A11

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-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 — — EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 — — US disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 — — EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — US disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 — — 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 (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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 KCNH2 188/4885LTA4H 599/4885ERN1 1985/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 KCNH2 188/4885LTA4H 599/4885ERN1 1985/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 KCNH2 188/4885LTA4H 599/4885ERN1 1985/4885

“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.

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