SCHEMBL4765745

SCHEMBL4765745

NC(=O)C(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
KDM4E B2RXH2 4/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
CTNNB1 P35222 3/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
WNT3A P56704 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL29410881 0.85 TSHR (1.00) TSHRKDM4EATMMEN1KMT2A
SCHEMBL624490 0.85 TSHR (1.00) TSHRKDM4EATMMEN1KMT2A
SCHEMBL6621631 0.83 TSHR (0.65) TSHRKDM4EATMMEN1KMT2A
SCHEMBL12930767 0.81 KDM4E (0.67) TSHRKDM4EATMMEN1KMT2A
SCHEMBL3759545 0.81 TSHR (0.62) TSHRKDM4EATMMEN1KMT2A
SCHEMBL4824992 0.80 NPSR1 (0.74) TSHRKDM4EATMHPGDPKM
SCHEMBL18072578 0.80 TSHR (0.89) TSHRKDM4EATMMEN1KMT2A
SCHEMBL619634 0.79 MAPK1 (0.78) TSHRKDM4EATMHPGDPKM
SCHEMBL31207820 0.78 TSHR (0.86) TSHRKDM4EATMMEN1KMT2A
SCHEMBL2842748 0.78 TSHR (0.86) TSHRKDM4EATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A TSHR 100/4885KDM4E 3707/4885ATM 3239/4885

“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.