SCHEMBL5519875

SCHEMBL5519875

N#Cc1ccc(OCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.62
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
MMP3 P08254 3/20 0.57
MMP2 P08253 3/20 0.56
HRH2 P25021 4/20 0.56
HRH1 P35367 4/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MAOB P27338 1/20 0.55
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
TBXAS1 P24557 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL12408526 0.98 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL5526919 0.98 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL7387284 0.98 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL7983991 0.98 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL7384498 0.95 HRH3 (0.59) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL26602050 0.93 MMP3 (0.66) HRH3ALDH1A1MMP3MMP2HRH2
SCHEMBL7986752 0.92 ALDH1A1 (0.66) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL20332712 0.91 HRH3 (0.60) HRH3ALDH1A1MAPTMMP3MMP2
SCHEMBL18079151 0.91 HDAC1 (0.67) HRH3ALDH1A1MMP3MMP2HRH2
SCHEMBL20333565 0.91 HRH3 (0.60) HRH3ALDH1A1MAPTMMP3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022170345-A1 THERMALLY STABLE ELASTIC POLYMER-ENCAPSULATED ANODE PARTICLES FOR LITHIUM BATTERIES AND METHOD OF MANUFACTURING GLOBAL GRAPHENE GROUP, INC. (US) 2022-08-11 WO disclosed
WO-2022170299-A2 FLAME-RESISTANT QUASI-SOLID AND SOLID-STATE ELECTROLYTES, LITHIUM BATTERIES AND MANUFACTURING METHOD GLOBAL GRAPHENE GROUP, INC. (US) 2022-08-11 WO disclosed
US-20220246915-A1 THERMALLY STABLE ELASTIC POLYMER-ENCAPSULATED ANODE PARTICLES FOR LITHIUM BATTERIES AND METHOD OF MANUFACTURING HONEYCOMB BATTERY COMPANY 2022-08-04 US disclosed
US-20220238914-A1 FLAME-RESISTANT QUASI-SOLID AND SOLID-STATE ELECTROLYTES, LITHIUM BATTERIES AND MANUFACTURING METHOD HONEYCOMB BATTERY COMPANY 2022-07-28 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
EP-1572129-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-14 EP disclosed
US-20040147531-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-07-29 US disclosed
EP-1420773-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2004-05-26 EP disclosed
US-20040006092-A1 Amidine derivatives for treating amyloidosis NEUROCHEM, INC. (CA) 2004-01-08 US disclosed
WO-2003103598-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-12-18 WO disclosed
WO-2003017994-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-03-06 WO disclosed
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US 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 (3 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-20040147531-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT HRH3 1222/4885ALDH1A1 2054/4885MAPT 11/4885
US-20040006092-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT HRH3 1222/4885ALDH1A1 2054/4885MAPT 11/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN HRH3 1160/4885ALDH1A1 2283/4885MAPT 10/4885

“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.