SCHEMBL685037

SCHEMBL685037

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.67
RAB9A P51151 8/20 0.57
NPC1 O15118 8/20 0.57
MAPT P10636 7/20 0.57
PKM P14618 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PTBP1 P26599 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 5/20 0.54

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
SCHEMBL685043 0.90 KDM1A (0.62) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL684741 0.88 RAB9A (0.68) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL9921041 0.88 KDM1A (0.60) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL683950 0.87 RAB9A (0.63) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL684725 0.87 KDM1A (0.58) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL684995 0.87 NPC1 (0.70) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL685269 0.86 RAB9A (0.57) RAB9ANPC1MAPTPKMATM
SCHEMBL684660 0.84 KDM1A (0.74) KDM1ARAB9ANPC1MAPTKMT2A
SCHEMBL684737 0.83 RAB9A (0.69) KDM1ARAB9ANPC1MAPTPKM
SCHEMBL684743 0.82 DUSP3 (0.69) MAPTKMT2ALMNASMN1; SMN2HTT

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 5 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
WO-2010083310-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO 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 484/4885RAB9A 3846/4885NPC1 1690/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885RAB9A 3616/4885NPC1 1052/4885

“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.