SCHEMBL6444738

SCHEMBL6444738

O=C(CCO)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
ALPI P09923 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
APEX1 P27695 1/20 0.35
CASP3 P42574 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
MCL1 Q07820 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1736012 0.89 CAMK2A (0.32)
Hydrochloric Acid SCHEMBL4217404 0.87 CAMK2A (0.31)
SCHEMBL5847297 0.82 CYP3A4 (0.34)
SCHEMBL1735246 0.82
SCHEMBL6780313 0.82 GABRA1 (0.41) ALDH1A1RECQLTDP1L3MBTL1
SCHEMBL30979835 0.78 NPC1 (0.34)
SCHEMBL11107864 0.78
SCHEMBL7361344 0.78
SCHEMBL4483981 0.78
Bromide SCHEMBL10972756 0.76 GSK3B (0.35)

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
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 KDM4E 3396/4885ALDH1A1 889/4885ABL1 4793/4885

“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.