SCHEMBL5754615

SCHEMBL5754615

COCCN1CCN(C(=O)c2ccc3nc(-c4ccc(Cl)cc4O)sc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
KCNA5 P22460 2/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR1 P21453 2/20 0.44
MGLL Q99685 3/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
GPR183 P32249 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5757212 0.84 S1PR1 (0.54) KMT2ANPC1RAB9AGAAKDM4E
SCHEMBL5756891 0.83 ILK (0.45) DRD2DRD3S1PR1
SCHEMBL5755190 0.77 MAPT (0.55) PKMKMT2ANPC1RAB9AMEN1
SCHEMBL5759089 0.77 HPGD (0.52) KMT2ANPC1RAB9AGAAKDM4E
SCHEMBL5755144 0.76 POLB (0.52) KMT2ANPC1RAB9AGAAMEN1
SCHEMBL5755318 0.75 MAPK1 (0.60) KMT2ANPC1RAB9AGAAKDM4E
SCHEMBL22223724 0.75 CD274 (0.57) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL5754402 0.75 KDM4E (0.58) PKMKMT2ANPC1RAB9AGAA
SCHEMBL5757270 0.74 MAPT (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL5754098 0.72 ILK (0.56) DRD2DRD3S1PR1

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-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP claimed
US-20060106015-A1 Novel use of benzothiazole derivatives ASTRAZENECA (SE) 2006-05-18 US claimed
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN claimed
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
EP-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP disclosed
US-20060106015-A1 Novel use of benzothiazole derivatives ASTRAZENECA (SE) 2006-05-18 US disclosed
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN disclosed
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 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-20060106015-A1 Novel use of benzothiazole derivatives ITK, WEE2, WEE1 PKM 186/4885KCNA5 2578/4885DRD2 3606/4885

“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.