SCHEMBL2891046

SCHEMBL2891046

CCN(Cc1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 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
SCHEMBL2887468 0.89 CYP2C19 (0.45) CYP2C19MAPTKCNH2PLK1CYP19A1
SCHEMBL2888761 0.79 CYP2C19 (0.42) CYP2C19CYP3A4MAPK1MAPTKCNH2
SCHEMBL2886797 0.78 CYP2C19 (0.47) CYP2C19MAPTKCNH2PLK1
SCHEMBL11511380 0.78 CYP3A4 (0.63) CYP2C19CYP3A4MAPK1MAPTTSHR
SCHEMBL10034408 0.74 CYP2C19 (0.52) CYP2C19CYP3A4MAPK1MAPTKCNH2
SCHEMBL2883171 0.74 MAPT (0.40) CYP3A4MAPT
SCHEMBL2488807 0.74 CYP2C19 (0.50) CYP2C19CYP3A4MAPK1MAPTKCNH2
SCHEMBL2890931 0.73 KCNH2 (0.50) CYP2C19CYP3A4MAPK1MAPTKCNH2
SCHEMBL2883498 0.73 CYP2C19 (0.68) CYP2C19KCNH2
SCHEMBL18517038 0.72 CYP2C19 (0.50) CYP2C19CYP3A4MAPK1MAPTKCNH2

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
US-8440842-B2 Antimicrobial compounds, their synthesis and their use for treatment of mammalian infections LEIBNIZ-INSTITUT FUER NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNOELL-INSTITUT (DE) 2013-05-14 — — US claimed
US-20100286130-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND THEIR USE FOR TREATMENT OF MAMMALIAN INFECTIONS LEIBNIZ-INSTITUT FUER NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNOELL-INSTITUT (DE) 2010-11-11 — — US claimed
EP-2176248-B1 NEW ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND THEIR USE FOR TREATMENT OF MAMMALIAN INFECTIONS LEIBNIZ INST NATURSTOFF FORSCH (DE) 2010-09-29 — — EP claimed
US-8440842-B2 Antimicrobial compounds, their synthesis and their use for treatment of mammalian infections LEIBNIZ-INSTITUT FUER NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNOELL-INSTITUT (DE) 2013-05-14 — — US disclosed
US-20100286130-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND THEIR USE FOR TREATMENT OF MAMMALIAN INFECTIONS LEIBNIZ-INSTITUT FUER NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNOELL-INSTITUT (DE) 2010-11-11 — — US disclosed
EP-2176248-B1 NEW ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND THEIR USE FOR TREATMENT OF MAMMALIAN INFECTIONS LEIBNIZ INST NATURSTOFF FORSCH (DE) 2010-09-29 — — EP disclosed
EP-2020406-A1 New antimicrobial compounds, their synthesis and their use for treatment of mammalian infection Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e.V. Hans-Knöll-Institut (DE) 2009-02-04 — — EP 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-20100286130-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND THEIR USE FOR TREATMENT OF MAMMALIAN INFECTIONS ARG1, ARG2, LPO CYP2C19 1786/4885CYP3A4 1465/4885MAPK1 1488/4885

“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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