SCHEMBL5487740

SCHEMBL5487740

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.42
MAPKAPK2 P49137 7/20 0.41
EGLN2 Q96KS0 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP11B1 P15538 1/20 0.38
NOTUM Q6P988 2/20 0.38
CYP11B2 P19099 1/20 0.38
TNKS O95271 1/20 0.37

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
SCHEMBL5493470 0.91 EGLN2 (0.45) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL13185348 0.90 KDM4E (0.44) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL4187933 0.83 GRM5 (0.49) GRM5KDM1AEGLN2KCNH2CYP11B1
SCHEMBL3505152 0.82 GRM5 (0.41) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL5484625 0.82 MMP3 (0.50) ALDH1A1MAPKAPK2KCNH2NOTUMTNKS
SCHEMBL3503836 0.81 KDM4E (0.39) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL14046725 0.81 KDM4E (0.39) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL14046723 0.80 EGLN2 (0.40) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL5487833 0.80 GRM5 (0.40) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL13986853 0.80 KDM4E (0.59) GRM5KDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 US disclosed
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 US disclosed
EP-1565458-A2 DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-08-24 EP disclosed
US-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents BOYKIN DAVID W (US) 2004-06-24 US disclosed
WO-2004050018-A2 DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-06-17 WO 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-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents NR0B1, NR2C2, DECR1 GRM5 1575/4885KDM4E 1555/4885ALDH1A1 1497/4885

“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.