SCHEMBL1306785

SCHEMBL1306785

CC(C)(C)OC(=O)NCC(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
P2RX7 Q99572 1/20 0.46

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
SCHEMBL1222005 0.87 SIGMAR1 (0.76) SIGMAR1KDM4EALDH1A1NPFFR1NPFFR2
SCHEMBL17007693 0.83 KDM4E (0.58) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL23013177 0.81 CACNA1I (0.61) SIGMAR1KDM4ECYP3A4
SCHEMBL29508424 0.81 CACNA1I (0.61) SIGMAR1KDM4ECYP3A4
SCHEMBL10135798 0.80 PRMT3 (0.52) SIGMAR1P2RX7
SCHEMBL7983465 0.78 SIGMAR1 (0.87) SIGMAR1NPFFR1NPFFR2P2RX7
SCHEMBL16130555 0.78 KDM4E (0.70) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL1308031 0.77 CYP3A4 (0.49) SIGMAR1ALDH1A1CYP3A4P2RX7
SCHEMBL12935916 0.77 ALDH1A1 (0.62) KDM4EALDH1A1TDP1CHRNB2CHRNA4
SCHEMBL7986224 0.76 SIGMAR1 (1.00) SIGMAR1

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-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 SIGMAR1 4605/4885KDM4E 920/4885ALDH1A1 2589/4885

“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.