SCHEMBL6042801

SCHEMBL6042801

COCCCCOc1cccnc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 11/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
MYC P01106 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL796628 0.92 KDM4E (0.47) PTPN1KDM4EGAAALDH1A1L3MBTL1
Hydrazine SCHEMBL28296611 0.89 KDM4E (0.45) PTPN1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL27480442 0.88 PTPN1 (0.60) PTPN1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL27466976 0.86 LMNA (0.46) PTPN1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL8882025 0.86 PTPN1 (0.62) PTPN1ALDH1A1MAPTCYP3A4TSHR
SCHEMBL8881039 0.86 PTPN1 (0.55) PTPN1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL2271444 0.85 PTPN1 (0.61) PTPN1ALDH1A1MAPTCYP3A4TSHR
SCHEMBL5517768 0.84 KDM4E (0.49) PTPN1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL286897 0.84 PTPN1 (0.50) PTPN1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL12470604 0.83 KDM4E (0.47) PTPN1KDM4EALDH1A1L3MBTL1MAPT

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 PTPN1 4034/4885KDM4E 1951/4885GAA 101/4885

“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.