SCHEMBL22986923

SCHEMBL22986923

NC(=O)OC1CCCC(Nc2cc(-c3ccco3)nc(Cl)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2B P29275 4/20 0.38
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 7/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
ALOX15 P16050 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 3/20 0.37
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL28544504 0.84 VCP (0.42) ADORA2AADORA1ADORA3ALDH1A1KDM4E
SCHEMBL20576178 0.84 VCP (0.42) ADORA2AADORA1ADORA3ALDH1A1KDM4E
SCHEMBL29389343 0.82 PIM1 (0.39) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL28685777 0.79 BTK (0.40) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL28689738 0.74 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL28689734 0.74 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL20576121 0.71 ADORA3 (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL30321134 0.71 TDP1 (0.44) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL28703145 0.68 ADORA3 (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL25279114 0.67 FFAR4 (0.44) ALDH1A1NPSR1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927118-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-02-23 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-10927118-B2 Inhibitors of influenza virus replication and uses thereof EIF2AK2, POLRMT, ZC3HAV1 ADORA2A 2174/4885ADORA1 2417/4885ADORA3 2651/4885

“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.