SCHEMBL3240182

SCHEMBL3240182

[CH2]c1ccc(CNC(C)c2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.53
HRH3 Q9Y5N1 8/20 0.46
HRH4 Q9H3N8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3242381 0.99 NCF1 (0.51) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL3245819 0.90 CHKA (0.53) NCF1HRH3KDM4E
SCHEMBL3240480 0.86 CASR (0.45) NCF1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13323461 0.80 NCF1 (0.68) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL21730434 0.79 NCF1 (0.66) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL302270 0.78 HRH3 (0.74) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL2265992 0.77 HRH3 (0.78) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL4429235 0.77 HRH3 (0.78) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL1334239 0.75 HRH3 (0.75) NCF1HRH3HRH4SMN1; SMN2ALDH1A1
SCHEMBL4547890 0.73 HRH3 (0.65) NCF1HRH3HRH4SMN1; SMN2ALDH1A1

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 NCF1 1244/4885HRH3 2578/4885HRH4 872/4885

“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.