SCHEMBL3597920

SCHEMBL3597920

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccc(OC)cc3)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.55
▸ HPGD P15428 8/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ NPSR1 Q6W5P4 6/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPT P10636 7/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ GLA P06280 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ PPARG P37231 3/20 0.48
▸ NCOA2 Q15596 3/20 0.48
▸ NCOA1 Q15788 3/20 0.48
▸ RXFP1 Q9HBX9 3/20 0.48
▸ NCOA3 Q9Y6Q9 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL3590231 0.92 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3592516 0.86 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3582806 0.83 TSHR (0.43) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3597768 0.81 ADORA2A (0.53) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3593738 0.80 HPGD (0.45) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL22215646 0.80 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL14390903 0.80 SMN1; SMN2 (0.47) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3597086 0.79 KMT2A (0.44) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL29442273 0.79 KMT2A (0.44) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3589518 0.78 ADORA2A (0.39) ALDH1A1HPGDKDM4ENPSR1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ALDH1A1 1001/4885HPGD 1588/4885KDM4E 1075/4885

“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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