SCHEMBL6878386

SCHEMBL6878386

COc1ccc(N(C)CC2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.51
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ CCR5 P51681 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMO Q99835 1/20 0.42
▸ GPR55 Q9Y2T6 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
SCHEMBL6874178 0.86 EPHX1 (0.53) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL6875789 0.83 HTT (0.39) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6878390 0.82 MAPT (0.40) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL5713582 0.81 EPHX1 (0.55) EPHX1ALDH1A1MAPTSMN1; SMN2MIF
SCHEMBL4574907 0.80 EPHX1 (0.57) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL3053531 0.74 MAPT (0.66) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL17085565 0.74 EPHX1 (0.72) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL5713596 0.73 EPHX1 (0.61) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL16119683 0.73 EPHX1 (0.81) EPHX1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL11161985 0.72 EPHX1 (0.70) EPHX1ALDH1A1MAPTLMNAGAA

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 EPHX1 2106/4885ALDH1A1 308/4885MAPT 3982/4885

“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.

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