SCHEMBL6043431

SCHEMBL6043431

[N-]=[N+]=[N-].c1ccc(C[N+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CALM1 P0DP23 1/20 0.41
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
IDO1 P14902 1/20 0.38
TRPA1 O75762 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
DNM1 Q05193 2/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL756844 0.89 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ECALM1TSHR
SCHEMBL769739 0.86 KDM4E (0.46) ALDH1A1TDP1KDM4ETSHRTP53
Hydrochloric Acid SCHEMBL1937107 0.86 ALDH1A1 (0.62) ALDH1A1TDP1KDM4ECALM1TSHR
Bromide SCHEMBL995842 0.86 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ECALM1TSHR
Water SCHEMBL973500 0.86 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ECALM1TSHR
Iodide SCHEMBL5085346 0.86 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ECALM1TSHR
Fluoride Ion SCHEMBL7789157 0.86 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ECALM1TSHR
Ammonia Solution, Strong SCHEMBL27654815 0.84 KDM4E (0.45) ALDH1A1TDP1KDM4ETSHRTP53
SCHEMBL7640984 0.79 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ECALM1TSHR
SCHEMBL7641909 0.79 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ECALM1TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1266118-C Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides NOVARTIS AG (CH) 2006-07-26 CN disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
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
CN-1550491-A Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1153759-C Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides ��˹��ŵ�� 2004-06-16 CN 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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 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 (2 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 1039/4885TDP1 381/4885KDM4E 1951/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 ALDH1A1 276/4885TDP1 821/4885KDM4E 1610/4885

“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.