SCHEMBL12658124

SCHEMBL12658124

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.54
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ PYGL P06737 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL12658273 0.93 NR4A2 (0.61) NR4A2GABRA1GABRB1GABRA3GABRB2
Lynamicin A SCHEMBL12658027 0.93 NR4A2 (0.61) NR4A2PYGLALDH1A1MEN1KMT2A
Lynamicin B SCHEMBL12658014 0.88 NR4A2 (0.55) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL14188730 0.87 NR4A2 (0.54) NR4A2PYGLALDH1A1MEN1KMT2A
SCHEMBL14188728 0.84 NR4A2 (0.51) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL12658130 0.84 NR4A2 (0.51) NR4A2GABRA1GABRB1GABRA3GABRB2
Lynamicin D SCHEMBL12658118 0.82 NR4A2 (0.63) NR4A2PYGLALDH1A1MEN1KMT2A
SCHEMBL12658026 0.79 NR4A2 (0.48) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL5434525 0.79 GPR84 (0.51) CYP1A2F7F3GUSB
SCHEMBL14215657 0.79 KDM4E (0.46) NR4A2ALDH1A1MEN1KMT2AKDM4E

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 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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