SCHEMBL6874178

SCHEMBL6874178

COc1ccc(N(C)C2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ P2RX4 Q99571 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMO Q99835 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GPR55 Q9Y2T6 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
SCHEMBL6878386 0.86 EPHX1 (0.51) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL4574907 0.82 EPHX1 (0.57) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL6874566 0.82 HTT (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6875469 0.81 SMN1; SMN2 (0.40) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5713582 0.77 EPHX1 (0.55) EPHX1ALDH1A1MAPTSMN1; SMN2MIF
SCHEMBL3053531 0.77 MAPT (0.66) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL17085565 0.76 EPHX1 (0.72) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL16119683 0.75 EPHX1 (0.81) EPHX1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL17891689 0.74 ALDH1A1 (0.69) EPHX1ALDH1A1MAPTLMNAKMT2A
SCHEMBL11161985 0.74 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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