SCHEMBL4293573

SCHEMBL4293573

COc1cccc(NCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BTK Q06187 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4281106 0.82 BTK (0.39) KDM4ETDP1USP30BTKALDH1A1
SCHEMBL4281693 0.81 CCR3 (0.39) SMN1; SMN2KMT2AL3MBTL1MEN1KDM4E
SCHEMBL4285501 0.78 RAB9A (0.41) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4282201 0.78 MAN1B1 (0.38) SMN1; SMN2MAPK1ALDH1A1GAARAB9A
SCHEMBL4283875 0.77 MEN1 (0.42) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4287638 0.75 LMNA (0.50) SMN1; SMN2KMT2AL3MBTL1MEN1KDM4E
SCHEMBL4285550 0.74 MEN1 (0.40) KMT2AMEN1KDM4ETDP1ALDH1A1
SCHEMBL4293729 0.74 MAPK1 (0.41) SMN1; SMN2KMT2AMEN1KDM4EMAPK1
SCHEMBL4295533 0.74 ATM (0.43) SMN1; SMN2KMT2AMEN1TDP1ALDH1A1
SCHEMBL18555832 0.74 ITGA4 (0.42) USP30ACHEBACE1GRIN2B

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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 SMN1; SMN2 4811/4885KMT2A 1049/4885L3MBTL1 3597/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885KMT2A 1049/4885L3MBTL1 3597/4885

“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.