SCHEMBL6042809

SCHEMBL6042809

[O]CCCCn1cnnn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TP53 P04637 4/20 0.39
LTB4R Q15722 1/20 0.38
RAB9A P51151 1/20 0.37
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
HMOX1 P09601 1/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 1/20 0.33
LTA4H P09960 1/20 0.31
STAT5B P51692 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4687305 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATP53LTB4R
SCHEMBL4685203 0.93
SCHEMBL2908987 0.84
SCHEMBL6042817 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATP53LTB4R
SCHEMBL6050372 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL10950345 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL4688434 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATP53LTB4R
SCHEMBL18672829 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL940260 0.78 MEN1 (0.62) ALDH1A1MEN1KMT2ALTB4R
SCHEMBL2052713 0.77

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
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 ALDH1A1 1039/4885MEN1 1992/4885KMT2A 2309/4885

“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.