SCHEMBL685073

SCHEMBL685073

O=C(N/N=C/c1c(C(F)(F)F)ccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.54
MAPT P10636 12/20 0.48
POLB P06746 4/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 3/20 0.47
OPRK1 P41145 1/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 3/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
ATM Q13315 1/20 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
SCHEMBL685042 0.90 MAPT (0.55) PHGDHMAPTPOLBMEN1KMT2A
SCHEMBL684669 0.88 DUSP3 (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684011 0.87 NPC1 (0.53) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684667 0.87 RAB9A (0.50) MAPTMEN1KMT2AKDM4EOPRK1
SCHEMBL685301 0.84 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684935 0.84 MAPT (0.53) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684647 0.80 PHGDH (0.61) PHGDHMAPTPOLBMEN1KMT2A
SCHEMBL684012 0.78 KDM1A (0.55) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684618 0.78 PHGDH (0.62) PHGDHMAPTPOLBMEN1KMT2A
SCHEMBL685678 0.78 PHGDH (0.67) PHGDHMAPTPOLBMEN1KMT2A

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 PHGDH 1735/4885MAPT 1491/4885POLB 4572/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PHGDH 1393/4885MAPT 921/4885POLB 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.