SCHEMBL4295533

SCHEMBL4295533

CC(=O)c1cccc(NCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR3 P51677 1/20 0.39

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
SCHEMBL4292964 0.86 MAPT (0.45) ATMNPC1RAB9AKMT2AMAPT
SCHEMBL4282201 0.85 MAN1B1 (0.38) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4287898 0.80 SLC6A2 (0.44) ATMNPC1RAB9AKMT2AMEN1
SCHEMBL4289699 0.78 MAOB (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4284653 0.75 PRMT3 (0.44) NPC1MAPTALDH1A1TDP1
SCHEMBL4292160 0.75 MAOA (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4293573 0.74 SMN1; SMN2 (0.37) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4294945 0.74 SMN1; SMN2 (0.44) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL4291179 0.74 KDM4E (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4285411 0.73 ROCK2 (0.46) CYP3A4

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 ATM 2921/4885NPC1 1165/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ATM 2921/4885NPC1 1165/4885RAB9A 1247/4885

“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.