SCHEMBL6408045

SCHEMBL6408045

O=C(NCc1cc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.51
FFAR1 O14842 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ROCK2 O75116 1/20 0.49
PRKCA P17252 1/20 0.49
GRK2 P25098 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL20810038 0.84 FFAR1 (0.50) MAPTMEN1KMT2AFFAR1RAB9A
SCHEMBL6403149 0.83 NPC1 (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6403008 0.83 ALDH1A1 (0.54) MAPTMEN1KMT2AGAANPC1
SCHEMBL6403827 0.83 POLB (0.65) MAPTMEN1KMT2AGAANPC1
SCHEMBL6407394 0.81 LMNA (0.56) MAPTNPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL6405133 0.81 P2RY14 (0.55) KMT2AGAASMN1; SMN2ROCK2PRKCA
SCHEMBL6403469 0.81 ROCK2 (0.50) MAPTTP53SMN1; SMN2ROCK2PRKCA
SCHEMBL6405896 0.81 SMN1; SMN2 (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6404893 0.80 ROCK2 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6403889 0.79 THRB (0.50) MAPTMEN1KMT2AGAATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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 (1 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 MAPT 4543/4885MEN1 3154/4885KMT2A 986/4885

“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.