SCHEMBL3025510

SCHEMBL3025510

Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
CTSV O60911 2/20 0.61
CTSL P07711 2/20 0.61
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
GAA P10253 2/20 0.51
CDK2 P24941 2/20 0.50
ANO1 Q5XXA6 1/20 0.49
ANO2 Q9NQ90 1/20 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
SCHEMBL22720188 0.92 MAPT (0.74) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL10623543 0.84 KMT2A (0.64) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL10623676 0.83 MAPT (0.62) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL2920267 0.83 CTSV (0.69) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL3032132 0.82 MAPT (0.71) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL3020359 0.81 MAPT (0.79) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL20107846 0.81 MAPT (0.50) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL3034237 0.81 KMT2A (0.66) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL5678051 0.81 MAPT (0.60) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL20107849 0.79 MEN1 (0.46) MAPTKMT2AMEN1CTSVCTSL

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 MAPT 4617/4885KMT2A 4366/4885MEN1 3506/4885

“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.