SCHEMBL6443558

SCHEMBL6443558

O=CNc1cccc2cccc(NC=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
TSHR P16473 3/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MCL1 Q07820 1/20 0.36
TYMS P04818 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
KDM5A P29375 2/20 0.33

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
SCHEMBL7590484 0.81 HSD17B10 (0.55) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL2025750 0.78 PABPC1 (0.49) PABPC1TSHRALDH1A1HSD17B10HPGD
SCHEMBL87813 0.77 PABPC1 (0.56) PABPC1TSHRALDH1A1HSD17B10HPGD
SCHEMBL29557391 0.77 PABPC1 (0.56) PABPC1TSHRALDH1A1HSD17B10HPGD
SCHEMBL4071127 0.77 PABPC1 (0.56) PABPC1TSHRALDH1A1HSD17B10HPGD
SCHEMBL30527294 0.76 ALDH1A1 (0.57) PABPC1TSHRALDH1A1MAPTMEN1
SCHEMBL8763290 0.76 ALDH1A1 (0.57) PABPC1TSHRALDH1A1MAPTMEN1
SCHEMBL28218656 0.76 PABPC1 (0.55) PABPC1TSHRALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL28740125 0.76 PABPC1 (0.55) PABPC1TSHRALDH1A1HSD17B10HPGD
SCHEMBL15453221 0.75 PABPC1 (0.59) PABPC1TSHRALDH1A1HSD17B10HPGD

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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 PABPC1 4438/4885TSHR 2585/4885ALDH1A1 889/4885

“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.