SCHEMBL21774705

SCHEMBL21774705

CN(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1.COc1ccc(CCN(C)Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KCNH2 Q12809 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
BLM P54132 3/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
PMP22 Q01453 1/20 0.47
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
ACHE P22303 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3153190 0.87 CDC25C (0.67) CDC25CSMN1; SMN2KDM4EKCNH2KMT2A
SCHEMBL3099813 0.80 HRH3 (0.64) SMN1; SMN2KDM4EKCNH2KMT2AMEN1
SCHEMBL3143902 0.78 ACHE (0.65) CDC25CSMN1; SMN2KCNH2KMT2AMEN1
SCHEMBL8789302 0.78 ACHE (0.66) CDC25CSMN1; SMN2KDM4EKCNH2KMT2A
SCHEMBL3158326 0.78 CDC25C (0.65) CDC25CSMN1; SMN2KDM4EKCNH2KMT2A
Hydrochloric Acid SCHEMBL11688073 0.77 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1BLMALDH1A1
SCHEMBL8491801 0.74 CRHBP (0.54) KCNH2
SCHEMBL6573083 0.74 KCNH2 (0.76) CDC25CSMN1; SMN2KCNH2KMT2AMEN1
SCHEMBL8789624 0.73 KCNH2 (0.71) CDC25CSMN1; SMN2KDM4EKCNH2BLM
SCHEMBL3143117 0.73 KCNH2 (0.64) CDC25CKCNH2KMT2AMEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CDC25C 1380/4885SMN1; SMN2 4517/4885KDM4E 1755/4885

“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.