SCHEMBL3068133

SCHEMBL3068133

NC(=NO)c1ccc(F)cc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A2 O15244 1/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN1 Q05586 1/20 0.35
SLC5A2 P31639 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3053719 0.82 BCL2 (0.40) BCL2BCL2L1ALOX5MAPTHTT
SCHEMBL5802389 0.81 PLA2G2A (0.46) BCL2BCL2L1ALOX5HTTPTPN1
SCHEMBL4219021 0.78 PTPN1 (0.53) BCL2BCL2L1ALOX5PTPN1PTPN2
SCHEMBL7573416 0.75 BCL2 (0.42) BCL2BCL2L1ALOX5HTTSMN1; SMN2
Thiobenzoic Acid SCHEMBL7576129 0.73 BCL2 (0.40) BCL2BCL2L1ALOX5HTTSMN1; SMN2
SCHEMBL9047865 0.72 MEN1 (0.62) BCL2BCL2L1ALOX5MAPT
SCHEMBL11808150 0.72 BCL2 (0.44) BCL2BCL2L1ALOX5SMN1; SMN2
SCHEMBL1741537 0.72 PLA2G2A (0.52) MAPTSMN1; SMN2
SCHEMBL12279653 0.71 CES2 (0.52) HTTGAAGRIN2BGRIN1
SCHEMBL640268 0.71 CES2 (0.52) HTTGAAGRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 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-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME SPOUT1, MRPL21, NPEPPS BCL2 753/4885BCL2L1 765/4885ALOX5 4069/4885

“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.