SCHEMBL12544752

SCHEMBL12544752

CN1CCN(CC(=O)C(C)(C)C)Cc2cc(N)cc(n2)CN(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NR1H2 P55055 1/20 0.33
ALPL P05186 1/20 0.33
PTBP1 P26599 1/20 0.33
UGT8 Q16880 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL12545141 0.84 ALDH1A1 (0.45) ALDH1A1POLBKDM4EALOX15MAPT
SCHEMBL12629021 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTNR1H2RAB9A
SCHEMBL5555248 0.76 WNT1 (0.37) ALDH1A1KDM4EMAPTNR1H2NPC1
SCHEMBL5551311 0.76 SLC6A9 (0.37)
SCHEMBL10261319 0.74 ALDH1A1 (0.49) ALDH1A1POLBKDM4EALOX15KCNH2
SCHEMBL17921358 0.74 ALDH1A1 (0.49) ALDH1A1POLBKDM4EALOX15KCNH2
SCHEMBL6840504 0.74 ALDH1A1 (0.49) ALDH1A1POLBKDM4EALOX15KCNH2
SCHEMBL12544596 0.69 CXCR4 (0.45) ALDH1A1POLBMAPTCYP2D6
SCHEMBL12091395 0.69 ALDH1A1 (0.44) ALDH1A1POLBKDM4EALOX15CYP3A4
SCHEMBL12091394 0.69 ALDH1A1 (0.44) ALDH1A1POLBKDM4EALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486544-B2 Manganese chelates and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2016-11-08 US disclosed
EP-2512524-B1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2016-10-05 EP disclosed
US-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2012-09-27 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-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) MAG, MPI, MB ALDH1A1 4435/4885POLB 3151/4885KDM4E 1751/4885

“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.