SCHEMBL17138099

SCHEMBL17138099

CCCCCCc1cccc(-c2c(F)c(F)c3nsnc3c2-c2cccc(CCCCCC)c2SBr)c1SBr

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ ELANE P08246 2/20 0.33
▸ CTSG P08311 2/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ BID P55957 3/20 0.30
▸ MCL1 Q07820 3/20 0.30
▸ BCL2L1 Q07817 2/20 0.30
▸ BAK1 Q16611 2/20 0.30
▸ KAT8 Q9H7Z6 2/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ KAT2A Q92830 1/20 0.30
▸ KAT2B Q92831 1/20 0.30
▸ KAT5 Q92993 1/20 0.30
▸ SAE1 Q9UBE0 1/20 0.30

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
SCHEMBL17138098 0.83 KCNH2 (0.37) KCNH2
SCHEMBL17138107 0.80 ELANE (0.35) KCNH2ELANECTSGNR1H2NR1H3
SCHEMBL17138100 0.68 GPR35 (0.30) —
SCHEMBL28093226 0.68 KCNH2 (0.34) KCNH2LIPG
SCHEMBL28092990 0.66 MEN1 (0.33) —
SCHEMBL12168498 0.66 MEN1 (0.33) —
SCHEMBL15200760 0.66 MEN1 (0.33) —
SCHEMBL2713322 0.66 MEN1 (0.33) —
SCHEMBL18665536 0.65 MEN1 (0.31) KCNH2
SCHEMBL28957583 0.65 MEN1 (0.47) KCNH2LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284504-A1 HETEROCYCLIC COMPOUNDS AND THE SYNTHESIS METHOD THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-08 — — US claimed
US-20150284504-A1 HETEROCYCLIC COMPOUNDS AND THE SYNTHESIS METHOD THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-08 — — 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-20150284504-A1 HETEROCYCLIC COMPOUNDS AND THE SYNTHESIS METHOD THEREOF DHPS, COASY, CDK18 KCNH2 1241/4885ELANE 4764/4885CTSG 3432/4885

“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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