SCHEMBL6824337

SCHEMBL6824337

c1ccc(-c2nc3ccccc3cc2C2=NCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE10A Q9Y233 1/20 0.46
AKT1 P31749 1/20 0.46
PSMB5 P28074 1/20 0.46

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
SCHEMBL9246331 0.78 NISCH (0.54) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9868117 0.77 NISCH (0.55) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29374375 0.76 PSMB5 (0.65) KDM4EALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL3359420 0.76 PSMB5 (0.65) KDM4EALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL9065016 0.75 TSHR (0.52) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL31054483 0.74 PSMB5 (0.63) KDM4EALDH1A1CYP3A4CYP2D6LMNA
Ammonia Solution, Strong SCHEMBL28129677 0.74 PSMB5 (0.63) KDM4EALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL28846224 0.72 PSMB5 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3399983 0.72 NISCH (0.66) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL105024 0.72 NISCH (1.00) NISCHALDH1A1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP claimed
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 NISCH 277/4885KDM4E 2605/4885ALDH1A1 1932/4885

“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.