SCHEMBL12658224

SCHEMBL12658224

COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ncccc23)c1-c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.55
▸ MAP2K1 Q02750 1/20 0.54
▸ HTT P42858 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PDPK1 O15530 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ IKBKE Q14164 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ CAMKK2 Q96RR4 2/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ CDC7 O00311 4/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ NEK1 Q96PY6 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42

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
Lycogarubin C SCHEMBL12658123 0.89 NR4A2 (0.59) HTTALPLMAPTNR4A2CREBBP
Lycogarubin C SCHEMBL30742812 0.89 NR4A2 (0.59) HTTALPLMAPTNR4A2CREBBP
SCHEMBL12658125 0.87 NR4A2 (0.50) PIM1MAP2K1MAPTNR4A2CAMKK2
Lycogarubin B SCHEMBL31061720 0.80 HTT (0.50) HTTALPLMAPTNR4A2CREBBP
SCHEMBL14628298 0.80 MAPT (0.41) PIM1MAP2K1HTTALPLMAPT
SCHEMBL12658122 0.79 MAPT (0.49) HTTALPLMAPTNR4A2CREBBP
SCHEMBL12658025 0.79 ALPL (0.49) HTTALPLMAPTNR4A2CREBBP
Lynamicin E SCHEMBL12658018 0.79 NR4A2 (0.56) HTTALPLMAPTNR4A2CREBBP
SCHEMBL12658127 0.77 NR4A2 (0.57) HTTALPLMAPTNR4A2CREBBP
SCHEMBL12658267 0.76 MAP2K1 (0.48) PIM1MAP2K1PDPK1TGFBR1IKBKE

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-1711486-B1 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS NEREUS PHARMACEUTICALS INC (US) 2011-05-11 — — EP disclosed
US-7375129-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2008-05-20 — — US disclosed
US-7375129-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2008-05-20 — — US disclosed
US-20070149601-A1 Bis-indole pyrroles useful as antimicrobials agents PRIVATE LIFE BIOMED AG (DE) 2007-06-28 — — US disclosed
US-20070149601-A1 Bis-indole pyrroles useful as antimicrobials agents PRIVATE LIFE BIOMED AG (DE) 2007-06-28 — — US disclosed
US-7166634-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
US-7166634-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2007-01-23 — — 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-20070149601-A1 Bis-indole pyrroles useful as antimicrobials agents IDO1, IDO2, TPH1 PIM1 363/4885MAP2K1 4190/4885HTT 2117/4885

“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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