SCHEMBL7799400

SCHEMBL7799400

CCOC(=O)COc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
ALDH1A1 P00352 10/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
TLR9 Q9NR96 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
S1PR4 O95977 1/20 0.55
ITGA4 P13612 1/20 0.55
S1PR1 P21453 1/20 0.55
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NTSR1 P30989 1/20 0.52
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49

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
SCHEMBL10488388 0.88 MAPT (0.53) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL3997757 0.87 ALDH1A1 (0.60) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL11784170 0.85 ERN1 (0.45) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL8865199 0.84 MAPT (0.55) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL4998777 0.84 MAPT (0.56) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL13215153 0.83 POLB (0.57) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL27456246 0.83 MAPT (0.50) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL6021915 0.83 PTGDR2 (0.61) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL3536740 0.82 ALDH1A1 (0.60) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL20042055 0.82 ALDH1A1 (0.55) MAPTALDH1A1LMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-3968117-A CARDIOVASCULAR BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3959296-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL MAPT 4080/4885ALDH1A1 2598/4885LMNA 265/4885

“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.