SCHEMBL5745561

SCHEMBL5745561

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.47
MAPT P10636 6/20 0.43
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FGFR4 P22455 1/20 0.39
LMNA P02545 1/20 0.39
HCAR3 P49019 1/20 0.38
CYP3A4 P08684 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 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
SCHEMBL5743844 0.81 PGK1 (0.49) PGK1MAPTMAOAL3MBTL1LMNA
SCHEMBL16563779 0.81 MAPT (0.49) MAPTMAOAL3MBTL1LMNACYP3A4
SCHEMBL11651996 0.80 PGK1 (0.50) PGK1MAPTL3MBTL1HCAR3MAPK1
SCHEMBL13964060 0.80 PGK1 (0.50) PGK1MAPTL3MBTL1LMNAHCAR3
SCHEMBL30154422 0.78 MAPT (0.67) PGK1MAPTL3MBTL1FGFR4HCAR3
SCHEMBL27993407 0.78 PGK1 (0.49) PGK1MAPTL3MBTL1LMNAHCAR3
SCHEMBL1978817 0.78 MAPT (0.67) PGK1MAPTL3MBTL1FGFR4HCAR3
SCHEMBL28653082 0.78 PGK1 (0.49) PGK1MAPTL3MBTL1LMNAHCAR3
SCHEMBL28496190 0.76 PGK1 (0.50) PGK1MAPTMAOAL3MBTL1LMNA
SCHEMBL28489675 0.76 TXNRD1 (0.57) PGK1MAPTRAB9AMAPK1

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 3668/4885MAOA 3308/4885

“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.