SCHEMBL6178455

SCHEMBL6178455

COc1ccc(C2CCCCO2)c2sc(NC(=O)c3ccnc(C)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.49
DUSP3 P51452 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RCE1 Q9Y256 1/20 0.45
PDE4B Q07343 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL6178716 0.91 LMNA (0.47) CHRM4DUSP3LMNAKMT2ATP53
SCHEMBL6180174 0.89 CHRM4 (0.61) CHRM4DUSP3LMNAKMT2ATP53
SCHEMBL6625781 0.89 KMT2A (0.46) CHRM4DUSP3LMNAKMT2ATP53
SCHEMBL5561667 0.88 CHRM4 (0.49) CHRM4DUSP3LMNAKMT2ATP53
SCHEMBL6178693 0.86 ADORA2A (0.59) KMT2APOLBMEN1MAPTADORA2A
SCHEMBL6180215 0.85 ADORA2A (0.54) CHRM4DUSP3LMNAKMT2ATP53
SCHEMBL6178823 0.85 ADORA2B (0.60) DUSP3KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6179541 0.83 ALDH1A1 (0.54) CHRM4DUSP3LMNAKMT2APOLB
SCHEMBL6178138 0.81 CHRM4 (0.49) CHRM4DUSP3KMT2ATP53POLB
Hydrochloric Acid SCHEMBL6180228 0.81 CHRM4 (0.51) CHRM4DUSP3LMNAKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP claimed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP claimed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US claimed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US claimed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO claimed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-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-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B CHRM4 1067/4885DUSP3 4844/4885LMNA 3584/4885

“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.