SCHEMBL684614

SCHEMBL684614

Cc1cccc(C(=O)N/N=C/c2cc(C)cc(C(F)(F)F)c2O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PTBP1 P26599 1/20 0.53
MAPT P10636 7/20 0.52
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.48
SIRT1 Q96EB6 3/20 0.48

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
SCHEMBL684722 0.91 MAPT (0.56) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL686245 0.91 ALOX5 (0.58) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL685251 0.91 ALOX5 (0.63) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL684725 0.90 KDM1A (0.58) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL683970 0.90 PIK3CG (0.51) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL685269 0.90 RAB9A (0.57) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL684720 0.87 SIRT1 (0.62) LMNAKMT2AHTTSMN1; SMN2KDM4E
SCHEMBL685018 0.87 DUSP3 (0.61) LMNAKMT2APOLBHTTSMN1; SMN2
SCHEMBL685015 0.86 RAB9A (0.55) LMNAKMT2ASMN1; SMN2TDP1MAPT
SCHEMBL683945 0.84 RAB9A (0.58) LMNAKMT2APOLBHTTSMN1; SMN2

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 LMNA 4808/4885KMT2A 1362/4885POLB 4572/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 LMNA 4567/4885KMT2A 1224/4885POLB 4241/4885

“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.