SCHEMBL5743844

SCHEMBL5743844

CCNc1nc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.49
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
HCAR3 P49019 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
GALR2 O43603 1/20 0.37
TXNRD1 Q16881 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NSD2 O96028 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL11651996 0.82 PGK1 (0.50) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL13964060 0.82 PGK1 (0.50) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL5745561 0.81 PGK1 (0.47) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL31467336 0.81 MAPT (0.41) PGK1MAPTL3MBTL1LMNAPOLB
SCHEMBL27993407 0.81 PGK1 (0.49) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL28653082 0.81 PGK1 (0.49) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL30154422 0.81 MAPT (0.67) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL1978817 0.81 MAPT (0.67) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL28496190 0.78 PGK1 (0.50) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL28489675 0.78 TXNRD1 (0.57) PGK1MAPTMAPK1TXNRD1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 EP disclosed
CN-1178939-C Non-nucleoside reverse transcriptase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-08 CN disclosed
CN-1436189-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2003-08-13 CN disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 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-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E PGK1 1100/4885MAPT 3668/4885L3MBTL1 176/4885

“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.