SCHEMBL6378448

SCHEMBL6378448

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
VCAM1 P19320 1/20 0.42
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MET P08581 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL6953347 0.89 PDK1 (0.46) KMT2AVCAM1MAPTNPSR1LMNA
SCHEMBL29995132 0.85 VCAM1 (0.55) KMT2AMEN1VCAM1NPSR1HTT
SCHEMBL2876988 0.85 VCAM1 (0.55) KMT2AMEN1VCAM1NPSR1HTT
SCHEMBL6378524 0.84 VCAM1 (0.43) KMT2AMEN1VCAM1ATMMAPT
SCHEMBL8329479 0.84 CASP6 (0.40) KMT2AMAPTTSHRCASP6POLB
SCHEMBL6948552 0.83 KMT2A (0.44) KMT2AMEN1VCAM1ATMMAPT
SCHEMBL27448922 0.83 KMT2A (0.37) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL11247732 0.83 CASP6 (0.57) KMT2AVCAM1MAPTNPSR1CYP3A4
SCHEMBL4297094 0.82 KMT2A (0.62) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL6655650 0.82 KMT2A (0.43) KMT2AMEN1VCAM1ATMMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225895-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-05-04 EP disclosed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6762201-B1 SUCH AS N-((2-AMINO-5-(N-METHYL-N-((1-METHYLINDOL-2-YL) -METHYL)CARBAMOYL)PHENYL)METHYL)-N-METHYLACETAMIDE; BACTERIAL INFECTIONS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-13 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-1225895-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
EP-1225895-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO 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
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 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 2235/4885VCAM1 66/4885

“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.