SCHEMBL4586875

SCHEMBL4586875

Cc1cc(Cl)ccc1C(=N)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
KDR P35968 3/20 0.44
CYP11B2 P19099 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
GPR27 Q9NS67 1/20 0.36
ABL1 P00519 1/20 0.36
GLA P06280 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
SCHEMBL874279 0.85 HDAC1 (0.42) NPC1RAB9ANOX1KDM4EALOX15
SCHEMBL4884083 0.80 TP53 (0.41) FLT1FLT4KDRNPC1RAB9A
SCHEMBL4145427 0.80 SMN1; SMN2 (0.50) FLT1FLT4KDRNPC1RAB9A
SCHEMBL29616566 0.80 SMN1; SMN2 (0.50) FLT1FLT4KDRNPC1RAB9A
SCHEMBL2473977 0.78 FLT1 (0.41) FLT1FLT4KDRNPC1RAB9A
SCHEMBL4586556 0.77 CYP11B2 (0.43) FLT1FLT4KDRCYP11B2NPC1
SCHEMBL641840 0.76 ALDH1A1 (0.50) FLT1FLT4KDRNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL28588765 0.74 LMNA (0.52) FLT1FLT4KDRCYP11B2NPC1
SCHEMBL536636 0.74 PRSS1 (0.37) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL18205229 0.74 MYC (0.45) NPC1SMN1; SMN2KDM4EALOX15HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956453-B1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-10-02 EP disclosed
WO-2017076844-A1 METHOD FOR PREPARATION OF THIOPHENE-2-CARBONYL CHLORIDES WITH OXALYL CHLORIDE LONZA LTD (CH) 2017-05-11 WO disclosed
WO-2017005606-A1 METHOD FOR PREPARATION OF CARBOXYLIC ACID CHLORIDES FROM METHYL KETONES WITH TWO REAGENTS LONZA LTD (CH) 2017-01-12 WO disclosed
WO-2016150937-A1 METHOD FOR PREPARATION OF THIOPHENECARBONYL CHLORIDES LONZA LTD (CH) 2016-09-29 WO disclosed
US-9232800-B2 3,5-disubstituted-4,5-dihydro-1,2,4-oxadiazoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-01-12 US disclosed
EP-2956453-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS Monsanto Technology LLC (US) 2015-12-23 EP disclosed
US-20140235439-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-08-21 US disclosed
WO-2014127195-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-08-21 WO disclosed
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 EP disclosed
CN-100364531-C 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC (US) 2008-01-30 CN disclosed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 US disclosed
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CYTOVIA, INC. (US) 2007-05-17 US disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US disclosed
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO disclosed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 US 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 (3 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-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP2 FLT1 2829/4885FLT4 3560/4885KDR 3742/4885
US-20140235439-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS ATL3, DDT, DNPH1 FLT1 4872/4885FLT4 4699/4885KDR 4791/4885
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CASP1, CASP3, CASP2 FLT1 1790/4885FLT4 2475/4885KDR 3211/4885

“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.