SCHEMBL4292964

SCHEMBL4292964

CC(=O)c1ccc(NCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4295533 0.86 ATM (0.43) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL4282201 0.86 MAN1B1 (0.38) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL4294542 0.79 KDM4E (0.49) MAPTL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL4287930 0.78 F10 (0.38) MAPTGFERMAPK1
SCHEMBL4284858 0.78 CA1 (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4294945 0.75 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1POLBGFER
SCHEMBL4291179 0.75 KDM4E (0.44) MAPTL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4285817 0.74 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL4285411 0.74 ROCK2 (0.46) POLB
SCHEMBL4292160 0.74 MAOA (0.47) MAPTL3MBTL1ALDH1A1HTTLMNA

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 MAPT 3142/4885L3MBTL1 3597/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885L3MBTL1 3597/4885SMN1; 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.