SCHEMBL21093408

SCHEMBL21093408

C/N=C\C(=O)NCCc1ccc(OC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 4/20 0.70
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
MAPT P10636 5/20 0.64
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL17507201 0.86 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL11845550 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL19718558 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL9717664 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL2224069 0.81 CA12 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL10359474 0.81 CA12 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL8099685 0.81 CA1 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL901614 0.81 CA12 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7265002 0.81 CA12 (0.73) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL1917292 0.80 MAPT (0.84) SMN1; SMN2ALDH1A1MAPTKDM4EPKM

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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-13 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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS DDT, CYP4X1, CYP51A1 SMN1; SMN2 1812/4885ALDH1A1 516/4885CA12 3130/4885

“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.