SCHEMBL3022957

SCHEMBL3022957

COc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.67
▸ RECQL P46063 2/20 0.67
▸ DUSP3 P51452 1/20 0.67
▸ PTPN5 P54829 1/20 0.67
▸ PTPN11 Q06124 1/20 0.67
▸ ANO1 Q5XXA6 1/20 0.67
▸ ANO2 Q9NQ90 1/20 0.67
▸ MYC P01106 1/20 0.66
▸ MAX P61244 1/20 0.66
▸ CTSV O60911 3/20 0.66
▸ CTSL P07711 3/20 0.66
▸ AKR1C3 P42330 3/20 0.64
▸ AKR1C2 P52895 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ RORC P51449 1/20 0.61
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL16737165 0.88 ANO1 (0.66) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL16737099 0.88 ANO1 (0.71) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL16737126 0.87 ANO1 (0.64) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL16737089 0.87 ANO1 (0.70) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL3030415 0.87 MAPT (0.65) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL10524945 0.86 CTSV (0.67) MAPTANO1ANO2MYCMAX
SCHEMBL22720195 0.85 CTSV (0.78) MAPTANO1ANO2MYCMAX
SCHEMBL6141339 0.84 CTSV (0.76) MAPTANO1ANO2MYCMAX
SCHEMBL10858283 0.84 MYC (0.65) MAPTANO1ANO2MYCMAX
SCHEMBL22720146 0.83 CTSV (0.81) MAPTANO1ANO2MYCMAX

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 4617/4885RECQL 1759/4885DUSP3 704/4885

“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.

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