SCHEMBL21729903

SCHEMBL21729903

COc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
ATM Q13315 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
NPSR1 Q6W5P4 2/20 0.71
TRPM8 Q7Z2W7 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PTGIR P43119 1/20 0.50
PTGDR Q13258 1/20 0.50

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
SCHEMBL20336349 0.91 L3MBTL1 (0.92) L3MBTL1ATMTDP1NPSR1TSHR
SCHEMBL867886 0.87 L3MBTL1 (1.00) L3MBTL1ATMTDP1NPSR1TSHR
SCHEMBL22204353 0.81 TRPM8 (0.59) L3MBTL1ATMTDP1NPSR1TRPM8
SCHEMBL10871639 0.81 ATM (0.53) L3MBTL1ATMTDP1NPSR1KDM4E
SCHEMBL31393785 0.80 KMT2A (0.66) L3MBTL1ATMTDP1NPSR1TRPM8
SCHEMBL28489728 0.80 ATM (0.72) L3MBTL1ATMTDP1NPSR1KDM4E
SCHEMBL4892361 0.80 L3MBTL1 (0.53) L3MBTL1ATMTDP1NPSR1TRPM8
SCHEMBL1118771 0.79 TRPM8 (0.56) L3MBTL1ATMTDP1NPSR1TRPM8
SCHEMBL28844152 0.79 TRPM8 (0.56) L3MBTL1ATMTDP1NPSR1TRPM8
SCHEMBL6576706 0.79 L3MBTL1 (0.82) L3MBTL1ATMTDP1NPSR1TSHR

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-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NAT CENTRE FOR BIOLOGICAL SCIENCES TIFR (IN) 2022-03-03 US disclosed
WO-2020035880-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) 2020-02-20 WO 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-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION CD4, CD14, CD69 L3MBTL1 2075/4885ATM 4012/4885TDP1 3710/4885

“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.