SCHEMBL684651

SCHEMBL684651

C/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 2/20 0.63
AGTR1 P30556 1/20 0.63
OPRK1 P41145 1/20 0.63
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP3A4 P08684 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.53

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
SCHEMBL23701490 0.89 KDM1A (0.74) KDM1AMEN1KMT2AMAPTALDH1A1
SCHEMBL684855 0.89 KDM1A (0.74) KDM1AMEN1KMT2AMAPTALDH1A1
SCHEMBL685242 0.88 KDM1A (0.60) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL685112 0.88 KDM1A (0.74) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL684565 0.88 KDM1A (0.63) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL684699 0.87 KDM1A (0.57) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL685054 0.87 MAPT (0.61) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL683929 0.86 KDM4E (0.60) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL684693 0.85 KMT2A (0.61) KDM1AMEN1KMT2AMAPTAGTR1
SCHEMBL683879 0.83 MAPT (0.65) KDM1AMEN1KMT2AMAPTAGTR1

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 KDM1A 484/4885MEN1 536/4885KMT2A 1362/4885

“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.