SCHEMBL3640901

SCHEMBL3640901

Cc1cc(O)cc2ncsc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HCRTR1 O43613 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ATIC P31939 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL8404402 0.79 SMN1; SMN2 (0.46) ALDH1A1NPSR1LMNAMAPK1MAPT
SCHEMBL3648625 0.76 SMN1; SMN2 (0.35) ALDH1A1ATICSMN1; SMN2DAO
SCHEMBL5539031 0.76 ATIC (0.33) ALDH1A1NPSR1L3MBTL1MAPK1ATIC
SCHEMBL27364173 0.76 ESR1 (0.38) ESR1ESR2
SCHEMBL18876085 0.74 POLB (0.38) POLBATICMEN1KMT2A
SCHEMBL27364496 0.74 KDM4E (0.47) ALOX15L3MBTL1KDM4EPKMSMN1; SMN2
SCHEMBL18876078 0.73 MEN1 (0.34) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18876079 0.73 ADRA2A (0.31) ADRA1ALMNA
SCHEMBL29185127 0.73 TGFBR1 (0.38) LMNAL3MBTL1KDM4EPKMKMT2A
SCHEMBL30832216 0.73 TGFBR1 (0.38) LMNAL3MBTL1KDM4EPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
CN-101827817-B Saturated and insaturated bi- or tricyclic aryloxyacetamide derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC 2013-05-08 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
CN-101827817-A Saturated and undersaturated two-or three cyclophane oxygen yl acetamide derivatives and they as the purposes of mycocide SYNGENTA PARTICIPATIONS AGSYNGENTA PARTICIPATIONS AG 2010-09-08 CN disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP3A4 1683/4885CHRM1 463/4885ALOX15 2847/4885
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 CYP3A4 27/4885CHRM1 247/4885ALOX15 665/4885

“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.