SCHEMBL6877927

SCHEMBL6877927

COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 13/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
PKM P14618 1/20 0.44
QPCT Q16769 1/20 0.43

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
SCHEMBL627460 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL317536 0.76 ALDH1A1 (0.66) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL6876672 0.76 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL31172082 0.75 MAPT (0.57) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL12312174 0.75 MAPT (0.57) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL4512978 0.75 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL12680494 0.74 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL97957 0.74 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL16233087 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL31090163 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAGAAHTT

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
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6713499-B2 ADENOSINE RECEPTOR AGONIST HOFFMAN-LA ROCHE INC. 2004-03-30 US disclosed
US-20030153566-A1 7-Amino-benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO 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-20030153566-A1 7-Amino-benzothiazole derivatives ADORA1, ADORA2A, ADORA3 SMN1; SMN2 3507/4885ALDH1A1 308/4885LMNA 3530/4885

“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.