SCHEMBL13054544

SCHEMBL13054544

O=C(Nc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
CNR1 P21554 1/20 0.45
DEGS1 O15121 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TCF4 P15884 1/20 0.42
CTNNB1 P35222 1/20 0.42

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
SCHEMBL7571867 0.92 ACKR3 (0.50) ACKR3MEN1KMT2APOLBDEGS1
SCHEMBL8202126 0.92 ACKR3 (0.50) ACKR3MEN1KMT2APOLBDEGS1
SCHEMBL13081821 0.82 CNR1 (0.44) MEN1KMT2APOLBCNR1TDP1
SCHEMBL7569678 0.81 DEGS1 (0.49) MEN1KMT2ADEGS1SMN1; SMN2NPC1
SCHEMBL13054426 0.81 DEGS1 (0.49) MEN1KMT2ADEGS1SMN1; SMN2NPC1
SCHEMBL7566088 0.77 ACKR3 (0.46) ACKR3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL17270266 0.76 ACKR3 (0.75) ACKR3DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL7603617 0.76 SMN1; SMN2 (0.50) ACKR3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7565087 0.75 ACKR3 (0.50) ACKR3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8112685 0.72 CNR1 (0.61) KMT2APOLBCNR1TDP1

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 ACKR3 1259/4885MEN1 1192/4885KMT2A 4458/4885

“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.