SCHEMBL4281174

SCHEMBL4281174

O=C(O)N1CCN(C(=O)O)[C@H](CCSc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.40
FKBP1A P62942 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38

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 0.78 TEAD1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4292362 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4284550 0.77 TEAD1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4282201 0.76 MAN1B1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4281759 0.75 RAB9A (0.46) SMN1; SMN2RAB9ANPC1KMT2APOLB
SCHEMBL4749797 0.74 PRMT5 (0.36) ALDH1A1KDM4E
SCHEMBL4285806 0.74 PRMT5 (0.36) ALDH1A1KDM4E
SCHEMBL4282070 0.74 NPC1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL4296626 0.74 KMT2A (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4297127 0.74 CA1 (0.36) ALDH1A1MEN1KMT2AUSP2

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 ALDH1A1 388/4885SMN1; SMN2 4811/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885SMN1; SMN2 4811/4885RAB9A 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.