SCHEMBL684012

SCHEMBL684012

O=C(N/N=C/c1c(C(F)(F)F)ccc(Cl)c1O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
LMNA P02545 6/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 8/20 0.49
MEN1 O00255 5/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 3/20 0.49
CTDSP1 Q9GZU7 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL685025 0.90 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL684892 0.90 KDM1A (0.63) KDM1ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL684815 0.89 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL684935 0.89 MAPT (0.53) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL684667 0.86 RAB9A (0.50) KDM1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL684669 0.86 DUSP3 (0.56) MAPTSMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL684011 0.84 NPC1 (0.53) CYP1A2CYP3A4CYP2C19MAPTSMN1; SMN2
SCHEMBL685301 0.82 MAPT (0.50) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL685037 0.82 KDM1A (0.67) KDM1ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL685043 0.81 KDM1A (0.62) KDM1ACYP1A2CYP3A4CYP2C19MAPT

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 4 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-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
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 484/4885CYP1A2 11/4885CYP3A4 48/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885CYP1A2 12/4885CYP3A4 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.