SCHEMBL4285897

SCHEMBL4285897

O=C(O)N1CCN(C(=O)O)[C@H](CCn2ncc3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.51
POLB P06746 3/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAO P14920 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CFD P00746 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL4292497 0.93 KMO (0.49) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL4281778 0.80 RAB9A (0.52) POLBHSD17B10TSHRNPC1RAB9A
SCHEMBL4290177 0.79 LMNA (0.45) HSD17B10TSHRSMN1; SMN2KMT2AMAPK1
SCHEMBL4301642 0.79 CYP11B2 (0.38) HSD17B10L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL4290999 0.79 KMO (0.50) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL4753442 0.79 KMO (0.50) KMOPOLBHSD17B10RECQLL3MBTL1
SCHEMBL4284114 0.75 MCHR1 (0.35) TSHRALDH1A1MAPK1
SCHEMBL4291388 0.75 HDAC8 (0.32)
SCHEMBL4288884 0.75 ADRA2A (0.52) L3MBTL1TSHRNPSR1NPC1SMN1; SMN2
SCHEMBL4294395 0.75 KMO (0.48) KMOPOLBHSD17B10RECQLL3MBTL1

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 KMO 1204/4885POLB 3799/4885HSD17B10 1017/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMO 1204/4885POLB 3799/4885HSD17B10 1017/4885

“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.