SCHEMBL4282373

SCHEMBL4282373

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KCNA5 P22460 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 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
SCHEMBL4751897 1.00 L3MBTL1 (0.47) L3MBTL1KCNA5CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4285610 0.99 L3MBTL1 (0.46) L3MBTL1KCNA5CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4287144 0.89 HPGD (0.47) KCNA5GAAMAPTKMT2AALDH1A1
SCHEMBL3493396 0.89 TEAD1 (0.46) L3MBTL1KCNA5GAAMAPTTSHR
Hydrochloric Acid SCHEMBL4293711 0.88 PARP1 (0.45) L3MBTL1KCNA5GAAMAPTTSHR
Hydrochloric Acid SCHEMBL4293709 0.88 PARP1 (0.45) L3MBTL1KCNA5GAAMAPTTSHR
SCHEMBL4290773 0.87 KMT2A (0.46) MAPTTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL4282336 0.87 KMT2A (0.46) L3MBTL1MAPTKMT2AALDH1A1MEN1
SCHEMBL4752778 0.87 RAB9A (0.44) GAAMAPTKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4284628 0.87 L3MBTL1 (0.46) L3MBTL1GAAMAPTALDH1A1SMN1; 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 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 L3MBTL1 3597/4885KCNA5 867/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885KCNA5 867/4885CYP1A2 89/4885

“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.