SCHEMBL4286525

SCHEMBL4286525

O=C(O)N1CCN(C(=O)O)[C@H](CCNc2nc3ccccc3s2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
CSNK1D P48730 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL4292362 0.82 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2MAPK1HPGD
Hydrochloric Acid SCHEMBL4287010 0.81 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPK1NFKB1
SCHEMBL4282201 0.79 MAN1B1 (0.38) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL1598715 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPK1NFKB1
SCHEMBL1598716 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPK1NFKB1
SCHEMBL16538487 0.72 PDE10A (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1913776 0.72 NOS3 (0.58) RAB9ANPC1SMN1; SMN2MAPK1POLB
SCHEMBL4283875 0.72 MEN1 (0.42) POLBMEN1KMT2AMAPTGAA
SCHEMBL30920002 0.71 POLB (0.68) RAB9ANPC1SMN1; SMN2MAPK1NFKB1
SCHEMBL17234165 0.71 POLB (0.68) RAB9ANPC1SMN1; SMN2MAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885SMN1; SMN2 4811/4885

“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.