SCHEMBL3585776

SCHEMBL3585776

N#Cc1c(-c2ccco2)cc(-c2ccsc2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ MAPT P10636 5/20 0.52
▸ POLB P06746 5/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SQOR Q9Y6N5 1/20 0.46
▸ MEN1 O00255 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ USP2 O75604 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ADORA1 P30542 3/20 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
SCHEMBL3588813 0.91 KDM4E (0.50) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL29442316 0.91 KDM4E (0.50) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL14391012 0.88 CHEK2 (0.41) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3591628 0.86 ADORA2A (0.56) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3592445 0.85 SQOR (0.47) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3582497 0.84 KDM4E (0.54) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3590027 0.83 KDM4E (0.49) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3585185 0.83 KDM4E (0.55) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3590688 0.82 ADORA2A (0.56) KDM4EMAPTPOLBL3MBTL1ATM
SCHEMBL3583339 0.82 KDM4E (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — 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
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 (2 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 KDM4E 316/4885MAPT 4525/4885POLB 3850/4885
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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