SCHEMBL6824005

SCHEMBL6824005

FC(F)(F)c1cccc2sc(C3=NCCN3)c(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.42
▸ GABRA5 P31644 1/20 0.41
▸ NISCH Q9Y2I1 9/20 0.40
▸ PDCD1LG2 Q9BQ51 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ LMNA P02545 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL6823963 0.83 NISCH (0.40) TAAR1NISCHPDCD1LG2CD274LMNA
SCHEMBL6824496 0.81 NISCH (0.38) NISCHPDCD1LG2CD274LMNARECQL
SCHEMBL6826450 0.80 CD274 (0.43) NISCHPDCD1LG2CD274ADRA2AADRA2B
SCHEMBL6824335 0.74 NISCH (0.46) NISCHLMNARECQL
SCHEMBL6824918 0.72 NISCH (0.49) NISCHLMNARECQLADRA2AADRA2B
SCHEMBL6824336 0.65 NISCH (0.41) NISCHPDCD1LG2CD274LMNARECQL
SCHEMBL6825141 0.65 NISCH (0.46) NISCHLMNARECQLGAA
SCHEMBL6824072 0.65 NISCH (0.38) NISCHLMNARECQL
SCHEMBL12095410 0.64 CTSS (0.35) GABRA5
SCHEMBL11629725 0.63 NISCH (0.46) NISCHLMNA

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
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 — — US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 — — EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 — — EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 — — US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 — — WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 — — EP 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R TAAR1 4242/4885GABRA5 694/4885NISCH 277/4885

“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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