SCHEMBL6079449

SCHEMBL6079449

COC(=O)c1cc(OCc2ccccc2)c2c(N3CCCCC3)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
MAPT P10636 11/20 0.45
TDP1 Q9NUW8 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP3A4 P08684 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 3/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6594082 0.91 ALDH1A1 (0.47) ALDH1A1MAPTTDP1CYP1A2CYP2D6
SCHEMBL6594071 0.91 ALDH1A1 (0.47) ALDH1A1MAPTTDP1CYP1A2CYP2D6
SCHEMBL6081198 0.91 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL6080467 0.85 CYP19A1 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6079964 0.84 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6080362 0.83 POLB (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6604199 0.81 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL6080721 0.80 CTSV (0.41) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6080078 0.79 SMN1; SMN2 (0.43) MAPTNPSR1SMN1; SMN2POLBLMNA
SCHEMBL6080282 0.78 CTSV (0.39) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL ALDH1A1 2726/4885MAPT 1575/4885TDP1 2264/4885

“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.