SCHEMBL4706428

SCHEMBL4706428

O=C(CC1CCCN(c2ccc([N+](=O)[O-])cc2F)C1)N1C2CCC1CC(O)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 2/20 0.43
DPP4 P27487 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4704984 0.85 GAA (0.40) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL14436817 0.85 GAA (0.40) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL4757438 0.82 DPP4 (0.41) DPP4SLC6A9
SCHEMBL5662929 0.81 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKMT2ADPP4
SCHEMBL5662706 0.81 PDE7A (0.40) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9984217 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2ADPP4
SCHEMBL14441574 0.79 PDE7A (0.38) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL4704511 0.78 LMNA (0.59) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL14437393 0.78 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14436827 0.77 PDE7A (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979318-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2008-10-15 EP claimed
US-20070197530-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-23 US claimed
WO-2007089683-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-08-09 WO claimed
EP-1979318-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2008-10-15 EP disclosed
US-20070197530-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-23 US disclosed
US-20070197530-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-23 US disclosed
US-20070197530-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-23 US disclosed
WO-2007089683-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-08-09 WO disclosed
WO-2007089683-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-08-09 WO 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-20070197530-A1 Amido compounds and their use as pharmaceuticals HSD11B1, HSD17B11, CYP11B1 ALDH1A1 165/4885MAPT 3520/4885LMNA 1860/4885

“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.