SCHEMBL684055

SCHEMBL684055

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.73
TMPRSS4 Q9NRS4 6/20 0.58
P2RX1 P51575 3/20 0.58
P2RX4 Q99571 3/20 0.58
P2RX7 Q99572 3/20 0.58
MTOR P42345 2/20 0.53
MEN1 O00255 1/20 0.52
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
KMT2A Q03164 1/20 0.52
MYLK Q15746 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRD4 O60885 1/20 0.50

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
SCHEMBL9921126 0.93 KDM1A (0.66) KDM1ATMPRSS4P2RX1P2RX4P2RX7
SCHEMBL685313 0.90 KDM1A (0.59) KDM1ATMPRSS4P2RX1P2RX4P2RX7
SCHEMBL686342 0.90 KDM1A (0.57) KDM1AMTORMEN1KMT2ANPC1
SCHEMBL685115 0.90 KDM1A (0.85) KDM1AMEN1KMT2ANPC1MAPT
SCHEMBL684709 0.86 MTOR (0.57) KDM1ATMPRSS4P2RX1MTORMEN1
SCHEMBL686278 0.86 KDM1A (0.67) KDM1ATMPRSS4P2RX1P2RX4P2RX7
SCHEMBL684836 0.86 KDM1A (0.79) KDM1ATMPRSS4P2RX1MEN1KMT2A
SCHEMBL684702 0.85 MTOR (0.59) KDM1ATMPRSS4MTORMEN1KMT2A
SCHEMBL684701 0.85 KDM1A (0.77) KDM1AMEN1KMT2ANPC1MAPT
SCHEMBL15772966 0.85 KDM1A (1.00) KDM1AMEN1KMT2ANPC1MAPT

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 1 patent. 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

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 484/4885TMPRSS4 2713/4885P2RX1 2503/4885

“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.