SCHEMBL12658273

SCHEMBL12658273

COC(=O)c1[nH]cc(-c2c[nH]c3ccc(Br)cc23)c1-c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.61
▸ GABRA1 P14867 1/20 0.48
▸ GABRB1 P18505 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 1/20 0.43

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
SCHEMBL12658124 0.93 NR4A2 (0.54) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL14188728 0.90 NR4A2 (0.51) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL14215657 0.85 KDM4E (0.46) NR4A2MEN1ALDH1A1KMT2AMTNR1A
Lynamicin A SCHEMBL12658027 0.85 NR4A2 (0.61) NR4A2MEN1NPC1ALDH1A1GAA
SCHEMBL12658270 0.82 NR4A2 (0.45) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL12658127 0.81 NR4A2 (0.57) NR4A2MEN1ALDH1A1CYP1A2GAA
Lynamicin B SCHEMBL12658014 0.80 NR4A2 (0.55) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL12658205 0.79 NR4A2 (0.44) NR4A2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14188735 0.79 NR4A2 (0.52) NR4A2MEN1ALDH1A1GAAMAPT
SCHEMBL14188730 0.79 NR4A2 (0.54) NR4A2MEN1NPC1ALDH1A1GAA

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
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-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 NR4A2 4802/4885GABRA1 1816/4885GABRB1 1133/4885

“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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