SCHEMBL5617080

SCHEMBL5617080

Nc1cnc2cccnc2c1NCCCCCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
LATS1 O95835 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP4Z1 Q86W10 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP4F8 P98187 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
TBXAS1 P24557 3/20 0.39
FABP1 P07148 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL27666669 1.00 HTT (0.42) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL6284484 0.87 HDAC1 (0.44) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL5617083 0.85 TOP2A (0.51) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL5510128 0.81 HDAC1 (0.36) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL27670113 0.80 TLR8 (0.36) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL5513106 0.80 TLR8 (0.41) HDAC1HDAC6
SCHEMBL5616972 0.80 TOP2A (0.56) HTTMEN1KMT2AALDH1A1TP53
SCHEMBL3177895 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1TP53HDAC1
SCHEMBL3352911 0.78 KDM4E (0.46) HDAC1HDAC6TDP1CA12CA1
SCHEMBL1233374 0.76 KDM4E (0.46) LATS1TDP1CA12CA1CA2

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-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG HTT 4393/4885MEN1 3874/4885KMT2A 2054/4885

“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.