SCHEMBL19941024

SCHEMBL19941024

C/C(=N/O)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.50
NOS2 P35228 4/20 0.50
NOS3 P29474 3/20 0.50
LOXL2 Q9Y4K0 4/20 0.48
F10 P00742 1/20 0.48
ABAT P80404 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FURIN P09958 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL27632667 1.00 NOS1 (0.50) NOS1NOS2NOS3LOXL2F10
SCHEMBL27364938 0.94 HRH3 (0.54) NOS1NOS2NOS3LOXL2F10
SCHEMBL19941369 0.83 NOS1 (0.53) NOS1NOS2NOS3LOXL2KDM4E
SCHEMBL14298196 0.81 CA9 (0.52) KDM4EHPGDHTTCA9SMN1; SMN2
SCHEMBL12360950 0.81 CA9 (0.52) KDM4EHPGDHTTCA9SMN1; SMN2
SCHEMBL7873597 0.80 ALDH1A1 (0.50) KDM4EHPGDHTTCA9SMN1; SMN2
SCHEMBL19938067 0.80 ALDH1A1 (0.50) KDM4EHPGDHTTCA9SMN1; SMN2
SCHEMBL19938064 0.77 PLK1 (0.48) KDM4EHPGDHTTCA9ALDH1A1
SCHEMBL27499995 0.77 LOXL2 (0.56) NOS1NOS2NOS3LOXL2F10
SCHEMBL10880173 0.76 LOXL2 (0.50) NOS1NOS2NOS3LOXL2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 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 (1 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 NOS1 64/4885NOS2 52/4885NOS3 48/4885

“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.