SCHEMBL2582550

SCHEMBL2582550

CC(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 5/20 0.64
HPGD P15428 4/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 4/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL13449689 0.92 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL13449688 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL18791198 0.91 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL13449696 0.90 SMN1; SMN2 (0.54) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL13449702 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL1383969 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10HPGDHTT
Avanbulin SCHEMBL29374555 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL1384956 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDHTT
Avanbulin SCHEMBL1160317 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL1384874 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42890-E1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2011-11-01 US disclosed
US-7385061-B2 4-[1-(6-amino-3-pyridylcarbonylmethyl)-1H-benzimidazol-2-yl]-furazan-3-yl]-N-(2-cyanoethyl)-amine; treatment of neoplastic and autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2008-06-10 US disclosed
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP disclosed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US disclosed
EP-1636215-A1 FURAZANOBENZIMIDAZOLES Basilea Pharmaceutica AG (CH) 2006-03-22 EP disclosed
WO-2004103994-A1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2004-12-02 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-20070043061-A1 Furazanobenzimidazoles FOXO1, CYP2F1, OXER1 ALDH1A1 335/4885KDM4E 1039/4885HSD17B10 1689/4885

“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.