SCHEMBL1385336

SCHEMBL1385336

Cc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 4/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 5/20 0.47
TP53 P04637 3/20 0.46
BCHE P06276 2/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL18791198 0.91 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL1383969 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
Avanbulin SCHEMBL29374555 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL11301075 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
Avanbulin SCHEMBL1160317 0.88 KDM4E (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL1384956 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL1384874 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL1386947 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL9099622 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
Avanbulin SCHEMBL9099635 0.87 KDM4E (0.55) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD

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
JP-4829791-B2 2011-12-07 JP claimed
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP claimed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US claimed
JP-2006528238-A 2006-12-14 JP claimed
EP-1636215-A1 FURAZANOBENZIMIDAZOLES Basilea Pharmaceutica AG (CH) 2006-03-22 EP claimed
WO-2004103994-A1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2004-12-02 WO claimed
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.