SCHEMBL2833213

SCHEMBL2833213

O=C(O)C1CC1(F)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 6/20 0.56
KDM1A O60341 1/20 0.56
PTGS2 P35354 1/20 0.43
HSD11B1 P28845 2/20 0.43
CCR2 P41597 2/20 0.41
HDAC4 P56524 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2832287 0.84 MAOB (0.59) MAOBMAOAKDM1APTGS2CCR2
SCHEMBL20673438 0.84 MAOB (0.55) MAOBMAOAPTGS2HSD11B1CCR2
SCHEMBL19385711 0.84 MAOB (0.55) MAOBMAOAPTGS2HSD11B1CCR2
SCHEMBL19403661 0.84 MAOB (0.55) MAOBMAOAPTGS2HSD11B1CCR2
SCHEMBL19385776 0.84 MAOB (0.55) MAOBMAOAPTGS2HSD11B1CCR2
SCHEMBL19385713 0.84 MAOB (0.55) MAOBMAOAPTGS2HSD11B1CCR2
SCHEMBL301325 0.83 MAOB (0.55) MAOBMAOAKDM1AHSD11B1
SCHEMBL24738867 0.80 HTR2C (0.52) MAOBMAOAKDM1AHSD11B1CCR2
SCHEMBL16220953 0.77 MAOB (0.46) MAOBMAOAKDM1APTGS2HSD11B1
SCHEMBL2839984 0.77 MAOA (0.46) MAOBMAOAKDM1ATSHRMEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO disclosed
US-8618023-B2 Microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
CN-101466671-B Novel microbiocides SYNGENTA PARTICIPATIONS AG 2012-01-11 CN disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
CN-101466671-A Novel microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2009-06-24 CN disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO 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 (2 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 MAOB 1096/4885MAOA 1543/4885KDM1A 1245/4885
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA MAOB 3618/4885MAOA 3139/4885KDM1A 2080/4885

“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.