SCHEMBL4290773

SCHEMBL4290773

CC(C)(C)c1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4751897 0.87 L3MBTL1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4282373 0.87 L3MBTL1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4287144 0.86 HPGD (0.47) KMT2APOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4285610 0.86 L3MBTL1 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3493396 0.86 TEAD1 (0.46) KMT2AMEN1RAB9ASMN1; SMN2KDM4E
SCHEMBL13705348 0.85 GRIN2B (0.44) KMT2AMEN1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4293711 0.84 PARP1 (0.45) KMT2AMEN1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4293709 0.84 PARP1 (0.45) KMT2AMEN1RAB9ASMN1; SMN2KDM4E
SCHEMBL4282336 0.84 KMT2A (0.46) KMT2AMEN1RAB9AHRH3KDM4E
Hydrochloric Acid SCHEMBL4284628 0.84 L3MBTL1 (0.46) HRH3SMN1; SMN2KDM4EALDH1A1HRH2

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 KMT2A 1049/4885MEN1 1254/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885RAB9A 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.