SCHEMBL3582497

SCHEMBL3582497

Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(OCc3ccc(C(=O)O)cc3)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.54
▸ POLB P06746 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SQOR Q9Y6N5 2/20 0.44
▸ ADORA2A P29274 4/20 0.40
▸ ADORA1 P30542 4/20 0.40
▸ ADORA2B P29275 3/20 0.40

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
SCHEMBL3590027 0.90 KDM4E (0.49) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3591628 0.88 ADORA2A (0.56) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3585185 0.87 KDM4E (0.55) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL14390694 0.86 IKBKB (0.39) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3585776 0.84 KDM4E (0.52) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3594349 0.83 KDM4E (0.49) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL13545984 0.82 KDM4E (0.44) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3590688 0.82 ADORA2A (0.56) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3583339 0.80 KDM4E (0.50) KDM4EPOLBMAPTL3MBTL1ATM
SCHEMBL3597246 0.78 KDM4E (0.53) KDM4EPOLBMAPTL3MBTL1ATM

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 1075/4885POLB 66/4885MAPT 3484/4885

“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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