SCHEMBL4284550

SCHEMBL4284550

O=C(O)N1CCN(C(=O)O)[C@H](CCCOc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.46
TEAD3 Q99594 1/20 0.46
NPC1 O15118 9/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 4/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 3/20 0.44
KCNA5 P22460 2/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL3494366 0.93 TEAD1 (0.50) TEAD1TEAD3NPC1SMN1; SMN2RAB9A
SCHEMBL4286026 0.82 HPGD (0.49) SMN1; SMN2MAPTHPGDKMT2AGAA
SCHEMBL4281940 0.82 KCNA5 (0.46) RAB9AHPGDKMT2AMEN1KCNA5
SCHEMBL4281983 0.82 L3MBTL1 (0.48) TEAD1TEAD3SMN1; SMN2MAPTKMT2A
SCHEMBL4286428 0.82 HCRTR1 (0.47) SMN1; SMN2RAB9AMAPTGAAKCNA5
SCHEMBL4288979 0.82 GPR183 (0.47) NPC1SMN1; SMN2RAB9AMAPTHPGD
SCHEMBL4285558 0.81 HRH3 (0.45) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL4285825 0.81 KCNA5 (0.49) MAPTMEN1KCNA5ALDH1A1
SCHEMBL4287625 0.81 KDM4E (0.50) SMN1; SMN2KMT2ATSHRALDH1A1KDM4E
SCHEMBL4285970 0.81 KDM4E (0.51) KMT2ATSHRGAAALDH1A1KDM4E

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 TEAD1 2143/4885TEAD3 1323/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TEAD1 2143/4885TEAD3 1323/4885NPC1 1165/4885

“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.