SCHEMBL6043383

SCHEMBL6043383

COCCCOc1ncccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NAPRT Q6XQN6 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1505205 0.92 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1263360 0.88 ALDH1A1 (0.51) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL27466011 0.86 RAB9A (0.51) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL3084388 0.85 L3MBTL1 (0.50) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL25270601 0.85 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6160250 0.84 PTPN1 (0.55) KDM4ETDP1ALDH1A1L3MBTL1TSHR
Potassium Ion SCHEMBL7823619 0.84 TDP1 (0.42) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1671161 0.83 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL11451808 0.83 PTPN1 (0.57) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6043936 0.82 L3MBTL1 (0.58) TDP1ALDH1A1L3MBTL1TSHRMAPT

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 KDM4E 1951/4885TDP1 381/4885ALDH1A1 1039/4885

“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.