SCHEMBL6948552

SCHEMBL6948552

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.40
VCAM1 P19320 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MET P08581 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6950389 0.90 POLB (0.49) POLBLMNATSHR
SCHEMBL6655650 0.89 KMT2A (0.43) KMT2AMEN1ATMVCAM1HTT
SCHEMBL7445333 0.87 VCAM1 (0.44) KMT2AVCAM1HTTPOLBNPSR1
SCHEMBL1627019 0.85 TSHR (0.44) KMT2ACYP3A4MAPTALDH1A1TSHR
SCHEMBL8329755 0.84 KMT2A (0.40) KMT2AMEN1ATMVCAM1HTT
SCHEMBL7338212 0.84 POLB (0.44) POLBLMNATSHR
SCHEMBL8326945 0.84 KMT2A (0.40) KMT2AMEN1ATMVCAM1HTT
SCHEMBL7426435 0.84 KMT2A (0.40) KMT2AMEN1ATMVCAM1HTT
SCHEMBL5191594 0.84 SNCA (0.49) ATMMAPTALDH1A1
SCHEMBL6378448 0.83 KMT2A (0.44) KMT2AMEN1ATMVCAM1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST KMT2A 4771/4885MEN1 2235/4885ATM 4431/4885

“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.