SCHEMBL2886797

SCHEMBL2886797

O=c1nc(NCc2ccccc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.47
▸ KCNH2 Q12809 2/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ TDO2 P48775 3/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FABP4 P15090 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SERPINE1 P05121 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
SCHEMBL28630187 0.83 HTR6 (0.42) CYP2C19HTR6PLK1TDO2IDO1
SCHEMBL2887468 0.81 CYP2C19 (0.45) CYP2C19KCNH2PLK1MAPTFABP4
SCHEMBL18517038 0.80 CYP2C19 (0.50) CYP2C19KCNH2PLK1MAPT
SCHEMBL2891046 0.78 CYP2C19 (0.44) CYP2C19KCNH2PLK1MAPT
SCHEMBL21226008 0.77 CYP2C19 (0.50) CYP2C19KCNH2PLK1MAPTMEN1
SCHEMBL2883498 0.76 CYP2C19 (0.68) CYP2C19KCNH2
SCHEMBL8153425 0.76 ALDH1A1 (0.49) CYP2C19HTR6TDO2MAPTSMN1; SMN2
SCHEMBL10034408 0.75 CYP2C19 (0.52) CYP2C19KCNH2PLK1MAPTMEN1
SCHEMBL28631375 0.75 ALDH1A1 (0.41) CYP2C19PLK1TDO2MAPTSMN1; SMN2
SCHEMBL14774987 0.75 CYP2C19 (0.66) CYP2C19KCNH2

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 1786/4885KCNH2 2697/4885HTR6 4753/4885

“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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