SCHEMBL4586842

SCHEMBL4586842

Cc1ccc(C(=N)NO)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5114233 0.76 ALDH1A1 (0.47) HPGDTSHRPOLBTDP1HSD17B10
SCHEMBL1489962 0.73
SCHEMBL399205 0.72 ALDH1A1 (0.46) HPGDTDP1HSD17B10LMNAMAPT
SCHEMBL3540163 0.72 TDP1 (0.48) HPGDPOLBTDP1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL1489639 0.71 TDP1 (0.43) KLK7HPGDTSHRPOLBTDP1
SCHEMBL17012552 0.70 HPGD (0.43) KLK7HPGDTSHRPOLBTDP1
SCHEMBL10675360 0.69
SCHEMBL7352212 0.68 ALDH1A1 (0.53) HPGDPOLBLMNAMAPTSMN1; SMN2
SCHEMBL7319809 0.68 KDM4E (0.40) HPGDPOLBHSD17B10LMNAMAPT
Hydrochloric Acid SCHEMBL7325275 0.68 SLC9A1 (0.52) HPGDPOLBTDP1HSD17B10MAPT

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 KLK7 3722/4885HPGD 1314/4885TSHR 4373/4885
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 KLK7 3512/4885HPGD 1313/4885TSHR 4383/4885

“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.