SCHEMBL12658131

SCHEMBL12658131

O=C(O)c1[nH]cc(-c2c[nH]c3cc(Cl)c(Cl)cc23)c1-c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.52
▸ F3 P13726 1/20 0.52
▸ PRKAB2 O43741 5/20 0.43
▸ PRKAG1 P54619 5/20 0.43
▸ PRKAA2 P54646 5/20 0.43
▸ PRKAA1 Q13131 5/20 0.43
▸ PRKAG3 Q9UGI9 5/20 0.43
▸ PRKAG2 Q9UGJ0 5/20 0.43
▸ PRKAB1 Q9Y478 5/20 0.43
▸ MAP2 P11137 1/20 0.43
▸ NR4A2 P43354 1/20 0.41
▸ NHERF1 O14745 2/20 0.41
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL12658024 0.94 F7 (0.59) F7F3MAP2NR4A2NHERF1
Lynamicin B SCHEMBL12658014 0.86 NR4A2 (0.55) F7F3NR4A2
SCHEMBL12658119 0.83 TSHR (0.47) F7F3NR4A2NHERF1
SCHEMBL12658020 0.81 F7 (0.60) F7F3MAP2NR4A2NHERF1
SCHEMBL12658279 0.81 KDM4E (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14215588 0.80 F7 (0.49) F7F3NR4A2HTR2A
Lynamicin A SCHEMBL12658027 0.79 NR4A2 (0.61) F7F3NR4A2
SCHEMBL12658136 0.78 F7 (0.45) F7F3MAP2NR4A2NHERF1
SCHEMBL12658130 0.78 NR4A2 (0.51) F7F3PRKAB2PRKAG1PRKAA2
SCHEMBL5427525 0.76 F7 (0.64) F7F3NR4A2NHERF1HTR2A

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 F7 4043/4885F3 3673/4885PRKAB2 4019/4885

“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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