Sugi Predict

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SCHEMBL6808474

SCHEMBL6808474

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3nc4ccccc4s3)sc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ HSF1 Q00613 1/20 0.41
▸ SLC16A1 P53985 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ PDE1A P54750 4/20 0.40
▸ PDE1B Q01064 4/20 0.40
▸ PDE1C Q14123 4/20 0.40
▸ PDE2A O00408 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SLC16A7 O60669 1/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 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
SCHEMBL5864675 0.82 LMNA (0.44) SLC16A1SMN1; SMN2CYP3A4CYP2C9PDE1A
SCHEMBL7007438 0.82 SLC16A1 (0.44) SLC16A1CYP3A4CYP2C9PDE1APDE1B
SCHEMBL5864831 0.81 SLC16A1 (0.58) SLC16A1SMN1; SMN2CYP3A4CYP2C9PDE1A
SCHEMBL5864669 0.81 PDE1B (0.47) SLC16A1SMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL7005464 0.80 MAPK1 (0.44) MAPK1HSF1SLC16A1SMN1; SMN2CYP3A4
SCHEMBL7007034 0.79 PDE1B (0.45) SLC16A1SMN1; SMN2CYP3A4CYP2C9PDE1A
SCHEMBL7006986 0.78 SLC16A1 (0.43) MAPK1SLC16A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL5864692 0.78 SLC16A1 (0.56) SLC16A1SMN1; SMN2CYP3A4CYP2C9HSD17B10
SCHEMBL5865214 0.78 ALDH1A1 (0.45) SLC16A1SMN1; SMN2CYP3A4CYP2C9ALDH1A1
SCHEMBL7004668 0.77 SLC16A1 (0.46) SLC16A1SMN1; SMN2CYP3A4CYP2C9PDE1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 — — EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 — — US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 — — EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 — — WO claimed
US-20040072746-A1 Inhibitors of monocarboxylate transport ASTRAZENECA AB (SE) 2004-04-15 — — US disclosed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 — — EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 — — US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 — — EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 — — WO 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-20040072746-A1 Inhibitors of monocarboxylate transport SLC16A1, SLC16A7, SLC16A3 MAPK1 1467/4885HSF1 869/4885SLC16A1 1/4885

“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.