SCHEMBL12877352

SCHEMBL12877352

NCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 3/20 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
SCHEMBL12877589 0.92 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL13449705 0.91 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL12877365 0.90 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL12877587 0.89 MAPT (0.51) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL18466603 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL11890482 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL11890507 0.89 MAPT (0.54) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL12877354 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL12877353 0.88 TP53 (0.44) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL11891114 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG 2012-10-18 US disclosed
WO-2011012577-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG (CH) 2011-02-03 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-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES SSB, VHL, AHR SMN1; SMN2 2944/4885ALDH1A1 838/4885KDM4E 926/4885

“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.