SCHEMBL4282105

SCHEMBL4282105

COC(=O)c1ccc(NCC[C@@H]2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
LMNA P02545 3/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.38
GRIN2B Q13224 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
SCHEMBL4284858 0.89 CA1 (0.42) POLBRAB9AALDH1A1CA1CA2
SCHEMBL4291132 0.88 MAPT (0.42) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4750110 0.87 HTR7 (0.48) POLBRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4284056 0.87 HTR7 (0.48) POLBRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4294740 0.85 MAN1B1 (0.43) POLBCA1CA2CA4CA9
SCHEMBL4284144 0.83 EPHX2 (0.43) POLBMEN1KMT2AEPHX2
SCHEMBL4287630 0.83 ALDH1A1 (0.44) ALDH1A1CA1CA2SMN1; SMN2CA4
SCHEMBL4975002 0.80 MAPT (0.46) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL4287898 0.78 SLC6A2 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL13705285 0.78 GRIN2B (0.45) POLBRAB9ACA1CA2SMN1; SMN2

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 2 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

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 POLB 3799/4885RAB9A 1247/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT POLB 3799/4885RAB9A 1247/4885ALDH1A1 388/4885

“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.