SCHEMBL2027320

SCHEMBL2027320

O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 1/20 0.54
AURKA O14965 3/20 0.51
MAPT P10636 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
RAF1 P04049 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL10561379 0.90 CNR1 (0.51) CNR1LMNAMAPTALDH1A1MEN1
SCHEMBL2028098 0.87 CNR1 (0.56) CNR1MAPTMAPK13MAPK12MAPK11
SCHEMBL2027314 0.87 MAPK13 (0.52) AURKAMAPTMAPK13MAPK12MAPK11
SCHEMBL2028423 0.86 MAPT (0.50) CNR1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2033230 0.83 MAPT (0.47) CNR1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2028034 0.83 KMT2A (0.54) AURKAMAPTALDH1A1ACHEBACE1
SCHEMBL2029732 0.81 NPC1 (0.56) LMNAAURKAMAPTALDH1A1MEN1
SCHEMBL5268736 0.77 CNR1 (0.58) CNR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11227523 0.75 KDM4E (0.51) CNR1LMNAL3MBTL1MAPK13MAPK12
SCHEMBL5274289 0.75 KDM4E (0.58) CNR1CYP1A2CYP2C19LMNAMAPT

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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US claimed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 CNR1 44/4885CYP1A2 217/4885CYP2C9 288/4885

“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.