SCHEMBL6080366

SCHEMBL6080366

Cc1c(C(=O)O)nc2c([N+](=O)[O-])cc(N3CCCCC3)cc2c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36

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
SCHEMBL6080327 0.92 SIRT6 (0.44) MAPTMAPK1CYP2C9KMT2ACYP2D6
SCHEMBL6081024 0.91 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL6597740 0.84 POLB (0.48) MAPTMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL6597732 0.84 POLB (0.48) MAPTMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL6079324 0.82 CTSV (0.40) MAPTSMN1; SMN2LMNAKMT2ACTSV
SCHEMBL6080118 0.82 CTSV (0.40) MAPTKMT2ACTSVCTSL
SCHEMBL6079453 0.82 MAPT (0.43) MAPTMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL6080219 0.80 KMT2A (0.39) MAPTALDH1A1KMT2ACTSVCTSL
SCHEMBL6081258 0.80 CTSV (0.47) MAPTHTTSMN1; SMN2LMNAKMT2A
SCHEMBL6080666 0.80 MEN1 (0.39) MAPTKMT2ACTSVCTSL

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 MAPT 1575/4885MAPK1 927/4885ALDH1A1 2726/4885

“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.