SCHEMBL3592445

SCHEMBL3592445

N#Cc1c(-c2ccoc2)cc(-c2ccsc2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 2/20 0.47
▸ PDE3A Q14432 1/20 0.40
▸ PIM1 P11309 3/20 0.39
▸ ACMSD Q8TDX5 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RET P07949 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL29442314 0.91 SQOR (0.42) SQORPDE3APIM1KDM4EALDH1A1
SCHEMBL3586912 0.91 SQOR (0.42) SQORPDE3APIM1KDM4EALDH1A1
SCHEMBL14390893 0.87 CHEK2 (0.41) CSNK2A1CHEK2
SCHEMBL3590309 0.85 SQOR (0.44) SQORPIM1ACMSDMAPK8MAPK9
SCHEMBL3585776 0.85 KDM4E (0.52) SQORPDE3APIM1ACMSDKDM4E
SCHEMBL3580685 0.85 PDE5A (0.48) SQORPIM1KDM4EPOLBMAPT
SCHEMBL3586498 0.82 SQOR (0.49) SQORKDM4EMAPTALDH1A1HPGD
SCHEMBL3583516 0.81 SQOR (0.46) SQORPIM1KDM4EPOLBMAPT
SCHEMBL3585039 0.80 SQOR (0.46) SQORPIM1KDM4EMAPTMAPK8
Tromethamine SCHEMBL3593648 0.79 SQOR (0.46) SQORPIM1CSNK2A1KDM4EMAPT

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 6 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
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO 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 SQOR 1/4885PDE3A 490/4885PIM1 2068/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 SQOR 3669/4885PDE3A 231/4885PIM1 40/4885

“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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