SCHEMBL2053902

SCHEMBL2053902

Nc1ccc(-c2ccc(C(=O)NCCCN3CCOCC3)o2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
CD274 Q9NZQ7 1/20 0.60
HTT P42858 3/20 0.54
MMP13 P45452 1/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL9491011 0.89 ALDH1A1 (0.80) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
Water SCHEMBL9478437 0.88 ALDH1A1 (0.78) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
SCHEMBL12641999 0.83 ALDH1A1 (0.54) ALDH1A1TSHRLMNAGLAKDM4E
SCHEMBL874264 0.83 ALDH1A1 (0.55) ALDH1A1CD274TSHRLMNAKDM4E
SCHEMBL12459935 0.81 CD274 (0.79) ALDH1A1CD274HTTTSHRMAPK1
SCHEMBL5452564 0.79 ALDH1A1 (0.66) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
SCHEMBL12460078 0.79 POLB (0.65) ALDH1A1CD274TSHRMAPK1LMNA
SCHEMBL15109544 0.77 GAA (0.60) ALDH1A1CD274TSHRMAPK1LMNA
SCHEMBL2028821 0.75 KDM4E (0.47) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL9478599 0.75 ALDH1A1 (0.71) ALDH1A1HTTTSHRMAPK1SMN1; SMN2

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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA ALDH1A1 2642/4885CD274 3772/4885HTT 639/4885

“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.