SCHEMBL6080045

SCHEMBL6080045

Cc1ccc([N+](=O)[O-])c2nc(C(=O)O)c(C#C[Si](C)(C)C)c(O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.32
GPR35 Q9HC97 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 3/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6079592 0.86 SMN1; SMN2 (0.36) TSHRL3MBTL1TDP1CTSBCTSH
SCHEMBL6593355 0.81 GPR35 (0.39) TSHRL3MBTL1TDP1CTSBSMN1; SMN2
SCHEMBL6593362 0.81 GPR35 (0.39) TSHRL3MBTL1TDP1CTSBSMN1; SMN2
SCHEMBL6079591 0.79 DUSP3 (0.39) TSHRL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL6080453 0.79 TSHR (0.40) TSHRL3MBTL1TDP1CTSBCTSH
SCHEMBL6080042 0.70 SMN1; SMN2 (0.36) TSHRTDP1CTSBSMN1; SMN2ALDH1A1
SCHEMBL6080184 0.69 MEN1 (0.38) TSHRL3MBTL1TDP1CTSBCTSH
SCHEMBL6591707 0.69 TSHR (0.46) TSHRL3MBTL1TDP1CTSBCTSH
SCHEMBL6591710 0.69 TSHR (0.46) TSHRL3MBTL1TDP1CTSBCTSH
SCHEMBL6080565 0.69 MAPT (0.36) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1

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 TSHR 4728/4885L3MBTL1 4069/4885TDP1 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.