SCHEMBL684011

SCHEMBL684011

O=C(N/N=C/c1c(C(F)(F)F)ccc(Cl)c1O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
SIRT1 Q96EB6 2/20 0.45

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
SCHEMBL684667 0.93 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL685301 0.91 MAPT (0.50) NPC1RAB9AMAPTPKMATM
SCHEMBL684935 0.90 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL684208 0.90 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL685025 0.88 CYP1A2 (0.67) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL685073 0.87 PHGDH (0.54) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL684012 0.84 KDM1A (0.55) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL684815 0.82 CYP1A2 (0.51) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL685029 0.82 KMT2A (0.51) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL684670 0.81 KMT2A (0.54) RAB9AMAPTSMN1; SMN2CYP3A4LMNA

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 NPC1 1690/4885RAB9A 3846/4885MAPT 1491/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885RAB9A 3616/4885MAPT 921/4885

“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.