SCHEMBL6826461

SCHEMBL6826461

CCc1c(C(=O)O)c(O)c(Br)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGB1 P09429 1/20 0.38
▸ CXCL12 P48061 1/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ NCOR2 Q9Y618 2/20 0.38
▸ EYA2 O00167 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB11 O95342 1/20 0.38

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
SCHEMBL8853214 0.82 KDM4E (0.47) CYP2C19ALDH1A1HPGDPOLBCYP1A2
SCHEMBL4556957 0.81 HSD17B10 (0.45) HMGB1CXCL12CYP2C19ALDH1A1HPGD
SCHEMBL6608353 0.81 HMGB1 (0.41) HMGB1CXCL12CYP2C19ALDH1A1HPGD
SCHEMBL27845391 0.79 KDM4E (0.44) CYP2C19ALDH1A1HPGDPOLBCYP1A2
SCHEMBL8966505 0.78 HMGB1 (0.41) HMGB1CXCL12CYP2C19ALDH1A1HPGD
SCHEMBL10905133 0.75 LDHA (0.43) HMGB1CXCL12ALDH1A1HPGDCYP2C9
SCHEMBL28068396 0.75 LDHA (0.40) HMGB1CXCL12CYP2C19ALDH1A1HPGD
SCHEMBL30631722 0.75 KDM4E (0.47) CYP2C19ALDH1A1HPGDPOLBCYP1A2
SCHEMBL29138976 0.75 KDM4E (0.47) CYP2C19ALDH1A1HPGDPOLBCYP1A2
SCHEMBL6824618 0.75 NR1H4 (0.36) CYP2C19ALDH1A1HPGDPOLBMEN1

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
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-1999032112-A1 METHOD FOR TREATING DIABETES ELI LILLY AND COMPANY (US) 1999-07-01 — — WO 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 HMGB1 2169/4885CXCL12 2379/4885CYP2C19 776/4885

“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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