Sugi Predict

Sugi Predict / Compounds / SCHEMBL6584196

SCHEMBL6584196

SCHEMBL6584196

COc1ccc2c(=O)[nH]ncc2c1OCC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ CHEK1 O14757 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 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
SCHEMBL6585114 0.78 PDE4B (0.52) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL6583914 0.78 PDE4A (0.47) CHEK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6585673 0.76 PDE4B (0.48) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL6584281 0.72 PDE4D (0.52) LMNACHEK1ALDH1A1HPGDKDM4E
SCHEMBL6584015 0.71 PDE4D (0.70) PDE4A
SCHEMBL6589108 0.71 ALDH1A1 (0.45) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL6586037 0.69 PDE4D (0.53) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL6586614 0.68 PDE4D (0.69) NPC1RAB9ACASP3SENP7PDE4A
SCHEMBL7508465 0.68 PDE4B (0.42) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL6584184 0.67 PDE4B (0.50) LMNAALDH1A1HPGDKDM4EMAPK1

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-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 — — US disclosed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 — — EP disclosed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 — — US disclosed
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 — — EP disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 — — 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-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A LMNA 2829/4885CHEK1 1866/4885ALDH1A1 780/4885

“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.