SCHEMBL18884495

SCHEMBL18884495

N#CCCN(N)Cc1ccco1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.48
▸ PDE4B Q07343 3/20 0.48
▸ PDE4C Q08493 3/20 0.48
▸ PDE4D Q08499 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18884496 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL14973881 0.75 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL14973878 0.74 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7057191 0.73 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6848665 0.72 — —
SCHEMBL28860752 0.71 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6952454 0.71 KDM4E (0.56) ALOX5KDM4EALDH1A1MAPTHTT
SCHEMBL6752134 0.70 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11118605 0.69 ALOX5 (0.49) ALOX5KDM4EALDH1A1HTTCYP3A4
SCHEMBL5931188 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 — — EP disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 — — US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 — — US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 — — 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PDE4A 2699/4885PDE4B 2017/4885PDE4C 3198/4885

“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.

Send feedback