SCHEMBL3583339

SCHEMBL3583339

N#Cc1c(-c2ccco2)cc(-c2ccc3c(c2)OCO3)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ MAPT P10636 6/20 0.50
▸ POLB P06746 4/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.47
▸ GAA P10253 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SQOR Q9Y6N5 1/20 0.44
▸ HPGD P15428 5/20 0.43
▸ GLA P06280 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ TSHR P16473 4/20 0.42

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
SCHEMBL3594715 0.91 KDM4E (0.50) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3585776 0.82 KDM4E (0.52) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3585185 0.81 KDM4E (0.55) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3582497 0.80 KDM4E (0.54) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3591628 0.80 ADORA2A (0.56) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3590027 0.80 KDM4E (0.49) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL3590688 0.77 ADORA2A (0.56) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL6252432 0.75 ADORA1 (0.84) KDM4EMAPTPOLBADORA1ADORA2A
SCHEMBL3583342 0.74 ADORA3 (0.42) KDM4EMAPTPOLBADORA1L3MBTL1
SCHEMBL14391019 0.74 PTGS1 (0.39) KDM4EMAPTPOLBL3MBTL1ATM

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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KDM4E 1075/4885MAPT 3484/4885POLB 66/4885

“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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