SCHEMBL9920837

SCHEMBL9920837

C/C(=N\NC(=O)c1ccccc1Cl)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.57
GAA P10253 4/20 0.57
CYP3A4 P08684 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
AGTR1 P30556 1/20 0.51
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL686617 0.90 KDM1A (0.56) KDM1AGAAMEN1KMT2AMAPT
SCHEMBL686583 0.87 KDM1A (0.52) KDM1AGAAMEN1KMT2AMAPT
SCHEMBL686327 0.86 NPC1 (0.56) KDM1AGAAMEN1KMT2AMAPT
SCHEMBL9921091 0.85 KDM1A (0.69) KDM1AGAACYP3A4MEN1KMT2A
SCHEMBL685112 0.84 KDM1A (0.74) KDM1AGAACYP3A4MEN1KMT2A
SCHEMBL9921126 0.83 KDM1A (0.66) KDM1AGAACYP3A4MEN1KMT2A
SCHEMBL683929 0.83 KDM4E (0.60) KDM1AGAACYP3A4MEN1KMT2A
SCHEMBL686342 0.83 KDM1A (0.57) KDM1AGAAMEN1KMT2AMAPT
SCHEMBL684651 0.82 KDM1A (0.65) KDM1AGAACYP3A4MEN1KMT2A
SCHEMBL684693 0.82 KMT2A (0.61) KDM1AGAAMEN1KMT2AMAPT

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-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 (2 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 484/4885GAA 670/4885CYP3A4 48/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885GAA 386/4885CYP3A4 71/4885

“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.