SCHEMBL2252706

SCHEMBL2252706

Fc1cccc(Cl)c1-c1nc2ccccn2c1NCc1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 13/20 0.61
▸ MAPT P10636 13/20 0.61
▸ ALDH1A1 P00352 7/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ HPGD P15428 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL2253044 0.89 ALDH1A1 (0.56) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2255500 0.89 GAA (0.48) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2254639 0.87 NR1H4 (0.61) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2253497 0.85 GAA (0.59) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2254621 0.85 GAA (0.48) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2256827 0.84 GAA (0.68) GAAMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL12360701 0.79 MAPT (0.62) GAAMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2256787 0.77 MAPT (0.68) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL2251686 0.74 MAPT (0.65) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2252247 0.74 MAPT (0.51) GAAMAPTALDH1A1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 — — EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — 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 (1 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-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 GAA 4087/4885MAPT 2915/4885ALDH1A1 3205/4885

“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.

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