SCHEMBL4291307

SCHEMBL4291307

Cc1cc(C)n(C[C@@H]2CN(C(=O)O)CCN2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.37
CXCR3 P49682 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.36
CRHR1 P34998 1/20 0.35
GFER P55789 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL4281770 0.87 KDM4E (0.44) LMNAKDM4EPOLBAPAF1ALDH1A1
SCHEMBL13705097 0.84 IDO1 (0.38) LMNAKDM4EALDH1A1GLARAB9A
SCHEMBL4285094 0.74 SMN1; SMN2 (0.35) LMNAPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL4280918 0.73 REN (0.34) LMNAKDM4EPOLBALDH1A1RAB9A
SCHEMBL18461706 0.73 CHRNB2 (0.49) LMNAKDM4EPOLBALDH1A1GLA
SCHEMBL4282115 0.72 CA1 (0.35) LMNAHTTCRHR1SMN1; SMN2
SCHEMBL4293435 0.72 KMT2A (0.35) KMT2A
SCHEMBL11189479 0.70 PARP1 (0.43)
SCHEMBL16178360 0.70 PARP1 (0.43)
SCHEMBL18788447 0.70 PARP1 (0.43)

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 LMNA 1785/4885KDM4E 760/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885KDM4E 760/4885POLB 3799/4885

“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.