SCHEMBL2550858

SCHEMBL2550858

O=Cc1c(F)cccc1N1CCN(C(=O)C2COc3ccccc3O2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.78
GAA P10253 3/20 0.65
ALDH1A1 P00352 4/20 0.64
POLB P06746 3/20 0.64
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.52
DNMT1 P26358 1/20 0.51
CASP6 P55212 1/20 0.51
MCL1 Q07820 1/20 0.51
CASP8 Q14790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AIMP2 Q13155 1/20 0.49
THRB P10828 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL2508778 0.85 MAPK1 (0.71) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL2548219 0.83 MAPK1 (0.71) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL12240051 0.78 ALDH1A1 (0.84) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL2550817 0.78 GAA (0.86) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL2550825 0.78 GAA (0.74) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL4136572 0.75 ALDH1A1 (0.78) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL13202892 0.74 ALDH1A1 (0.76) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL10167539 0.74 ALDH1A1 (0.97) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL2549118 0.73 GAA (0.67) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL2549123 0.73 GAA (0.67) MAPK1GAAALDH1A1POLBKMT2A

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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C MAPK1 3863/4885GAA 3623/4885ALDH1A1 819/4885

“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.