SCHEMBL684856

SCHEMBL684856

O=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
SCN5A Q14524 2/20 0.48
SCN2A Q99250 2/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NLRP1 Q9C000 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.44
P2RX7 Q99572 1/20 0.44
GSTA1 P08263 1/20 0.44

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
SCHEMBL685146 0.90 SMN1; SMN2 (0.57) GAAMAPK1MAPTALDH1A1NPC1
SCHEMBL684544 0.83 KDM4E (0.59) GAAMAPK1MAPTALDH1A1NPC1
SCHEMBL684474 0.75 SMN1; SMN2 (0.58) GAAMAPK1MAPTALDH1A1NPC1
SCHEMBL684545 0.72 SMN1; SMN2 (0.65) GAAMAPK1MAPTALDH1A1NPC1
SCHEMBL6448938 0.70 POLB (0.61) GAAALDH1A1NPC1HTTSMN1; SMN2
SCHEMBL28762492 0.69 NPC1 (0.71) MAPK1MAPTALDH1A1NPC1HPGD
SCHEMBL684602 0.69 KDM4E (0.65) MAPTNPC1HTTRAB9AMEN1
Dihydrochalcone SCHEMBL29359372 0.68 CYP19A1 (0.80) GAAMAPTALDH1A1NPC1HPGD
Dihydrochalcone SCHEMBL2827303 0.68 CYP19A1 (0.80) GAAMAPTALDH1A1NPC1HPGD
SCHEMBL5467789 0.67 KDM4E (0.65) GAAMAPK1SCN5ASCN2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 GAA 670/4885MAPK1 3282/4885SCN5A 1517/4885

“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.