SCHEMBL2253497

SCHEMBL2253497

Cc1cccn2c(NCc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.59
▸ MAPT P10636 11/20 0.59
▸ ALDH1A1 P00352 11/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ HPGD P15428 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 1/20 0.41

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 0.85 ALDH1A1 (0.56) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2252072 0.85 GAA (0.62) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL2252706 0.85 GAA (0.61) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2254639 0.83 NR1H4 (0.61) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2255500 0.81 GAA (0.48) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2254621 0.81 GAA (0.48) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2253124 0.80 MAPT (0.55) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2251686 0.71 MAPT (0.65) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2256827 0.69 GAA (0.68) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL2250466 0.68 GAA (0.69) GAAMAPTALDH1A1L3MBTL1HPGD

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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