SCHEMBL2584579

SCHEMBL2584579

Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC(=O)O)nc3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 1/20 0.50
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL11891125 0.91 KDM4E (0.55) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL23118938 0.89 KDM4E (0.53) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL18714136 0.88 KDM4E (0.52) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL18466595 0.88 KDM4E (0.52) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
Avanbulin SCHEMBL1160317 0.88 KDM4E (0.56) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
Avanbulin SCHEMBL29374555 0.88 KDM4E (0.56) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
Avanbulin SCHEMBL9099635 0.87 KDM4E (0.55) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL17826523 0.85 ALDH1A1 (0.55) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL11890502 0.84 KDM4E (0.73) KDM4ESMN1; SMN2MAPTBCHETP53
SCHEMBL1160486 0.83 KDM4E (0.58) KDM4ESMN1; SMN2MAPTCYP1A2CYP3A4

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-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

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 KDM4E 1039/4885SMN1; SMN2 2831/4885MAPT 4783/4885

“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.