SCHEMBL5755231

SCHEMBL5755231

Nc1nccnc1-c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
GAA P10253 3/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 2/20 0.61
MITF O75030 2/20 0.61
RECQL P46063 1/20 0.61
GFER P55789 1/20 0.61
PAX8 Q06710 1/20 0.61
KLF5 Q13887 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.58
ILK Q13418 3/20 0.56

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
SCHEMBL5756161 0.83 HPGD (0.53) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL5758146 0.80 KDM4E (0.60) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL211024 0.76 RAB9A (0.66) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL9797268 0.76 KDM4E (0.88) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL8531346 0.76 KDM4E (1.00) NPC1RAB9AKDM4EALDH1A1NFKB1
Hydrochloric Acid SCHEMBL4680538 0.75 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1NFKB1
Bromide SCHEMBL10947640 0.75 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL694350 0.75 KDM4E (0.61) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL6840221 0.74 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL121572 0.74 KDM4E (1.00) NPC1RAB9AKDM4EALDH1A1NFKB1

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 4 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 disclosed
US-20060106015-A1 Novel use of benzothiazole derivatives ASTRAZENECA (SE) 2006-05-18 US 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 NPC1 2627/4885RAB9A 3095/4885KDM4E 2318/4885

“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.