SCHEMBL5757301

SCHEMBL5757301

CN(C)CCN(C)C(=O)c1ccc2nc(-c3cc(-c4ccccc4)ccc3O)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LIPG Q9Y5X9 1/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5756311 0.89 ROCK2 (0.45) NFKB1NFKB2RELASMN1; SMN2RAB9A
SCHEMBL5758746 0.85 MGAM (0.47) KDM4ESMN1; SMN2LMNARAB9AMAPT
SCHEMBL5757504 0.84 NPC1 (0.45) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL5757292 0.80 KMT2A (0.48) SMN1; SMN2LMNARAB9AMAPTMEN1
SCHEMBL5758649 0.76 ROCK2 (0.45) NFKB1NFKB2RELASMN1; SMN2RAB9A
SCHEMBL28159222 0.76 MAPT (0.60) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL6104213 0.75 GAA (0.44) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL5759668 0.74 KDM4E (0.51) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL2750376 0.74 ATR (0.54) ADORA2AADORA1MAPT
SCHEMBL2789607 0.74 KDM4E (0.68) KDM4ENFKB1NFKB2RELASMN1; SMN2

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 6 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
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

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 KDM4E 2318/4885NFKB1 207/4885NFKB2 155/4885

“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.