SCHEMBL2301989

SCHEMBL2301989

[CH2]c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
NOTUM Q6P988 2/20 0.56
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
POLB P06746 1/20 0.45
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALPG P10696 1/20 0.44
CXCR1 P25024 2/20 0.43

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
SCHEMBL562245 0.80 PTGS2 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3751941 0.79 RAB9A (0.61) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL9213944 0.79 RAB9A (0.59) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL18489825 0.78 NPC1 (0.86) RAB9ANPC1NOTUML3MBTL1MAPT
SCHEMBL474171 0.76 NOTUM (0.61) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL2301990 0.76 RAB9A (0.57) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL6352556 0.76 NPC1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL20031207 0.73 RAB9A (0.53) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL541967 0.73 NOTUM (0.72) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL2609422 0.73 RAB9A (0.53) RAB9ANPC1NOTUMMEN1KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
US-10155730-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION, LLC (US) 2018-12-18 US disclosed
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 US disclosed
EP-3337809-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-2917201-B1 DIHYDROTHIOPHENE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-20 EP disclosed
US-9714228-B2 Dihydrofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-07-25 US disclosed
WO-2017029289-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 WO disclosed
EP-2755969-B1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-18 EP disclosed
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2016-12-22 US disclosed
WO-2013026724-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
EP-2539330-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 US disclosed
EP-2536698-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES Syngenta Participations AG (CH) 2012-12-26 EP disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
WO-2011101229-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed
WO-2011101402-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed
CN-1098713-A The ortho-ethenylphenylacetic acid derivatives that replaces BASF AG (DE) 1995-02-15 CN 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 (7 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-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS FOXM1, NDUFC1, H1-0 RAB9A 278/4885NPC1 725/4885NOTUM 1747/4885
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 RAB9A 2525/4885NPC1 1840/4885NOTUM 2367/4885
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 RAB9A 193/4885NPC1 1693/4885NOTUM 1682/4885
US-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 RAB9A 1828/4885NPC1 1614/4885NOTUM 877/4885
US-10155730-B2 Isoxazoline derivatives as insecticides ACHE, CHRM1, ITPR3 RAB9A 193/4885NPC1 1693/4885NOTUM 1682/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 RAB9A 246/4885NPC1 1505/4885NOTUM 1853/4885
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 RAB9A 193/4885NPC1 1693/4885NOTUM 1682/4885

“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.