SCHEMBL7568626

SCHEMBL7568626

O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 1.00
PARP1 P09874 4/20 1.00
TNKS2 Q9H2K2 4/20 1.00
PARP2 Q9UGN5 2/20 1.00
CSNK2A2 P19784 1/20 1.00
CSNK2B P67870 1/20 1.00
CSNK2A1 P68400 1/20 1.00
PLA2G2A P14555 2/20 0.71
PLA2G4A P47712 2/20 0.71
GABRP O00591 5/20 0.69
GABRD O14764 5/20 0.69
GABRA1 P14867 5/20 0.69
GABRB1 P18505 5/20 0.69
GABRG2 P18507 5/20 0.69
GABRB3 P28472 5/20 0.69
GABRA5 P31644 5/20 0.69
GABRA3 P34903 5/20 0.69
GABRA2 P47869 5/20 0.69
GABRB2 P47870 5/20 0.69
GABRA4 P48169 5/20 0.69

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
SCHEMBL7538912 0.87 GABRP (0.84) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL5064064 0.86 GABRP (0.80) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL6656060 0.84 GABRP (0.82) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL14433139 0.82 GABRP (0.72) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL13855909 0.82 GABRP (0.75) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL16894657 0.82 GABRP (0.72) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL4990126 0.82 GABRP (1.00) TNKSPARP1TNKS2PARP2CSNK2A2
SCHEMBL23070093 0.81 TNKS (0.93) TNKSPARP1TNKS2PARP2PLA2G2A
Flavone SCHEMBL18879 0.81 TNKS (1.00) TNKSPARP1TNKS2PARP2PLA2G2A
Flavone SCHEMBL15676601 0.81 TNKS (1.00) TNKSPARP1TNKS2PARP2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236118-B1 Selective cyclocarbonylative coupling of 2-iodophenols with terminal alkynes catalyzed by bridged bis(NHC)Pd(II)Br2 catalysts KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2022-02-01 US disclosed
EP-0857066-B1 USE OF NITROFLAVONOIDS FOR THE TREATMENT OF ANXIETY UNIV STRATHCLYDE (GB) 2002-05-29 EP disclosed
US-6080780-A ADMINISTERING TO THE PATIENT A NITROFLAVANOID TO TREAT THE ANXIETY UNIVERSITY OF STRATHCLYDE (GB) 2000-06-27 US 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-11236118-B1 Selective cyclocarbonylative coupling of 2-iodophenols with terminal alkynes catalyzed by bridged bis(NHC)Pd(II)Br2 catalysts BRD2, BICRA, RAD52 TNKS 1399/4885PARP1 63/4885TNKS2 340/4885

“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.