SCHEMBL12658205

SCHEMBL12658205

COC(=O)c1[nH]cc(-c2c[nH]c3cc(Cl)c(Cl)cc23)c1-c1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 5/20 0.44
▸ PRKAG1 P54619 12/20 0.41
▸ PRKAA1 Q13131 12/20 0.41
▸ PRKAB1 Q9Y478 12/20 0.41
▸ PRKAB2 O43741 10/20 0.41
▸ PRKAA2 P54646 10/20 0.41
▸ PRKAG3 Q9UGI9 10/20 0.41
▸ PRKAG2 Q9UGJ0 10/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
Lynamicin B SCHEMBL12658014 0.92 NR4A2 (0.55) NR4A2MEN1MTNR1AMTNR1BKMT2A
SCHEMBL14188735 0.91 NR4A2 (0.52) NR4A2PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12658114 0.90 SPR (0.42) NR4A2PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12658267 0.87 MAP2K1 (0.48) —
Lynamicin A SCHEMBL12658027 0.84 NR4A2 (0.61) NR4A2MEN1MTNR1AMTNR1BKMT2A
SCHEMBL14188731 0.83 SPR (0.41) NR4A2PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12658130 0.83 NR4A2 (0.51) NR4A2PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12658220 0.81 SPR (0.43) NR4A2PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12658273 0.79 NR4A2 (0.61) NR4A2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14215657 0.79 KDM4E (0.46) NR4A2MEN1LMNAMAPK1MTNR1A

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 4802/4885PRKAG1 3961/4885PRKAA1 944/4885

“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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