SCHEMBL5713604

SCHEMBL5713604

COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1NC(=O)N(S)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SLC16A3 O15427 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CCR5 P51681 1/20 0.40

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
SCHEMBL5713596 0.80 EPHX1 (0.61) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL5713585 0.78 HDAC1 (0.42) GAASMN1; SMN2KMT2AHTTMEN1
SCHEMBL11137902 0.74 KMT2A (0.61) TSHRGAAKMT2AALDH1A1HTT
SCHEMBL6875469 0.73 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AALDH1A1HTTMEN1
SCHEMBL6878390 0.73 MAPT (0.40) GAASMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL5713570 0.70 NPSR1 (0.54) TSHRSMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL3053533 0.69 MAPT (0.52) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL4574909 0.69 CCR5 (0.47) SMN1; SMN2KMT2AALDH1A1HTTMEN1
SCHEMBL30394561 0.69 SLC16A3 (0.52) HTTMAPTSLC16A3SLC16A1TP53
SCHEMBL26105961 0.69 SLC16A3 (0.52) HTTMAPTSLC16A3SLC16A1TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 — — EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 — — US disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 — — EP disclosed
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 — — US 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 (2 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 TSHR 208/4885GAA 2652/4885SMN1; SMN2 3507/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR TSHR 165/4885GAA 4602/4885SMN1; SMN2 3359/4885

“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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