SCHEMBL4281759

SCHEMBL4281759

O=C(O)N1CCN(C(=O)O)[C@H](CCS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA4 P22748 9/20 0.41
CA9 Q16790 9/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL18281724 0.81 RAB9A (0.57) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL3494366 0.75 TEAD1 (0.50) RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL4282201 0.75 MAN1B1 (0.38) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL4281174 0.75 ALDH1A1 (0.46) RAB9ANPC1KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4285449 0.74 KMT2A (0.57) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL4284550 0.74 TEAD1 (0.46) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL13705284 0.73 PARP1 (0.56) RAB9ANPC1SMN1; SMN2
SCHEMBL4297127 0.73 CA1 (0.36) KMT2ACA1CA2CA4CA9
SCHEMBL4291047 0.73 TACR1 (0.43) KMT2A
SCHEMBL4788402 0.72 CA1 (0.35) CA1CA2CA4CA9

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 RAB9A 1247/4885NPC1 1165/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885KMT2A 1049/4885

“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.