SCHEMBL17817486

SCHEMBL17817486

CCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MAPK1 P28482 2/20 0.97
POLB P06746 2/20 0.97
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 3/20 0.71
HPGD P15428 2/20 0.71
LMNA P02545 1/20 0.71
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.52
PDE4D Q08499 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
HRH1 P35367 2/20 0.49
MLNR O43193 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL981894 0.84 KDM4E (0.74) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL981898 0.83 KDM4E (1.00) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL3975423 0.79 KDM4E (0.69) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL13844736 0.78 KDM4E (0.73) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL982631 0.77 KDM4E (0.71) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL980644 0.76 KDM4E (0.69) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL3976738 0.76 KDM4E (0.65) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL5370477 0.74 TSHR (0.71) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL28566828 0.73 TSHR (0.58) ATML3MBTL1MAPK1POLBKDM4E
SCHEMBL5372898 0.73 SMN1; SMN2 (0.71) ATML3MBTL1MAPK1POLBKDM4E

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ATM 4490/4885L3MBTL1 3605/4885MAPK1 2188/4885

“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.