SCHEMBL3585863

SCHEMBL3585863

N#Cc1c(N2CCOCC2)cc(-c2cccs2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.46
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46
▸ PDE1C Q14123 1/20 0.46
▸ KDM4E B2RXH2 9/20 0.41
▸ HPGD P15428 5/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 2/20 0.38

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
SCHEMBL3597086 0.91 KMT2A (0.44) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL29442273 0.91 KMT2A (0.44) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL22215627 0.89 PDE5A (0.39) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL14391023 0.87 KDM4E (0.40) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13545988 0.83 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3580550 0.80 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13545981 0.79 PDE5A (0.47) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3591628 0.79 ADORA2A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3580685 0.79 PDE5A (0.48) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL14390907 0.78 KMT2A (0.46) KDM4EHPGDTDP1MAPTNPC1

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 PDE5A 503/4885PDE1A 3231/4885PDE1B 3359/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 PDE5A 531/4885PDE1A 2156/4885PDE1B 2475/4885

“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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