SCHEMBL3239907

SCHEMBL3239907

[CH2]c1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 3/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
GPR88 Q9GZN0 1/20 0.40

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
SCHEMBL3245792 0.88 SMN1; SMN2 (0.46) SMN1; SMN2POLBATMHTTALDH1A1
SCHEMBL3237722 0.86 GAA (0.50) SMN1; SMN2GPR88
SCHEMBL1239640 0.78 POLB (0.50) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL3246970 0.78 MEN1 (0.45) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL13077134 0.76 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ATMHTTALDH1A1
SCHEMBL14438289 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2POLBHTT
SCHEMBL18539281 0.75 POLB (0.50) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL18539278 0.75 POLB (0.50) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL6813612 0.75 CYP2D6 (0.50) MEN1KMT2AATMALDH1A1
SCHEMBL10316558 0.74 SIGMAR1 (0.50) MEN1KMT2ASMN1; SMN2ATM

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MEN1 2895/4885KMT2A 4715/4885SMN1; SMN2 4546/4885

“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.