SCHEMBL9921139

SCHEMBL9921139

O=C(N/N=C/c1cc(C(F)(F)F)cc(Cl)c1O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.61
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 5/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTT P42858 2/20 0.57
POLB P06746 2/20 0.57
PTBP1 P26599 1/20 0.57
NPC1 O15118 7/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 6/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 4/20 0.53
USP2 O75604 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53

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
SCHEMBL9921041 0.90 KDM1A (0.60) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL9921039 0.90 MAPT (0.65) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL9921134 0.90 ALOX5 (0.60) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL686337 0.89 KMT2A (0.55) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL686246 0.87 SIRT1 (0.61) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL683833 0.87 KDM4E (0.67) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL685159 0.86 NPC1 (0.70) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL686334 0.86 DUSP3 (0.61) KMT2ASMN1; SMN2LMNAKDM4ETDP1
SCHEMBL686554 0.85 KDM1A (0.69) KDM1AKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL9921127 0.85 SIRT1 (0.61) KDM1AKMT2ASMN1; SMN2LMNAKDM4E

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 484/4885KMT2A 1362/4885SMN1; SMN2 4107/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885KMT2A 1224/4885SMN1; SMN2 3775/4885

“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.