SCHEMBL6447259

SCHEMBL6447259

CO/N=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.41
MAP4K4 O95819 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SYK P43405 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIN1 Q13526 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3456741 0.91 PIN1 (0.39) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL7769098 0.86 EZH2 (0.35) HIF1AMAP4K4ALDH1A1HPGDTSHR
SCHEMBL9494059 0.86 MAP4K4 (0.41) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL22371494 0.84 MAP4K4 (0.40) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL9065463 0.83 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL55086 0.83 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL21389595 0.82 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRSYK
SCHEMBL10045475 0.82 MAP4K4 (0.39) MAP4K4ALDH1A1HPGDTSHRSYK
Azoxystrobin SCHEMBL3785319 0.82 HIF1A (0.43) HIF1AALDH1A1
Azoxystrobin SCHEMBL4113006 0.81 MAP4K4 (0.38) MAP4K4ALDH1A1HPGDTSHRSYK

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-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-27 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-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews CBR3, CBR1, C9 HIF1A 4549/4885MAP4K4 3478/4885ALDH1A1 2263/4885

“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.