SCHEMBL4586745

SCHEMBL4586745

COC(=O)CCCNCc1cc(C(=N)NO)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.36
P4HB P07237 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL4585714 0.76 L3MBTL1 (0.41) L3MBTL1MAPTALDH1A1NPSR1KDM4E
SCHEMBL4586748 0.75 L3MBTL1 (0.41) L3MBTL1MAPTKDM4ELMNAHTT
SCHEMBL14810207 0.72 HDAC8 (0.40) L3MBTL1ALDH1A1HPGDKDM4ELMNA
SCHEMBL3014350 0.69 NPC1 (0.53) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL7980416 0.68 L3MBTL1 (0.58) L3MBTL1MAPTHPGDKDM4EHTT
SCHEMBL3274018 0.67 CA12 (0.39) MAPTALDH1A1CA12CA1CA2
SCHEMBL17533841 0.67 MARS1 (0.51) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL11953344 0.67 CHRM2 (0.57) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL11301379 0.66 CHRM2 (0.63) MAPTKDM4EACHEHDAC1KMT2A
SCHEMBL14810783 0.65 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1HPGDKDM4ESMN1; SMN2

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
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
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
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 (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-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 L3MBTL1 576/4885MAPT 4540/4885ALDH1A1 155/4885
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 L3MBTL1 494/4885MAPT 4605/4885ALDH1A1 205/4885

“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.