SCHEMBL3028534

SCHEMBL3028534

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.76
CTSL P07711 3/20 0.76
MAPT P10636 5/20 0.73
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
AKR1C3 P42330 5/20 0.63
AKR1C2 P52895 5/20 0.63
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
MPO P05164 2/20 0.56
ANO1 Q5XXA6 1/20 0.54
ANO2 Q9NQ90 1/20 0.54
GAA P10253 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C1 Q04828 1/20 0.53
EGFR P00533 1/20 0.50

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
SCHEMBL354532 0.86 CTSV (1.00) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL22720190 0.85 CTSV (0.68) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3026731 0.85 CTSV (0.76) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL5344962 0.85 CTSV (0.76) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL16737129 0.84 CTSV (0.63) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL4249101 0.82 CTSV (0.86) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3020950 0.81 MAPT (0.72) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL7325216 0.81 MPO (0.83) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3033026 0.81 CTSV (0.76) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL19241672 0.81 MAPT (0.72) CTSVCTSLMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
EP-2129653-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-12-09 EP disclosed
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 WO disclosed
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 WO disclosed
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 EP 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 CTSV 4711/4885CTSL 3569/4885MAPT 4617/4885

“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.