SCHEMBL684512

SCHEMBL684512

C/C(=N\NC(=O)Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.41
PIK3CA P42336 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL684472 0.88 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL684514 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL685046 0.84 KDM1A (0.52) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL13285465 0.76 KDM1A (0.50) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL683726 0.73 KDM1A (0.55) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL684917 0.73 KDM1A (0.61) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL684551 0.72 KDM1A (0.70) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL684689 0.72 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL683865 0.71 KDM1A (0.55) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL684919 0.70 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNAGAA

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 MEN1 536/4885KMT2A 1362/4885SMN1; SMN2 4107/4885

“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.