SCHEMBL999442

SCHEMBL999442

NC(=O)c1cc(F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
DGAT1 O75907 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 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
SCHEMBL10271931 0.86 ALDH1A1 (0.40) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL1202582 0.84 PKM (0.45) ALDH1A1CYP3A4MAPTKDM4ETDP1
SCHEMBL28114978 0.79 GRIN2D (0.41) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL26626610 0.78 GRIN2D (0.43) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL23529318 0.78 PKM (0.44) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL9899863 0.76 ALDH1A1 (0.47) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL23540445 0.76 KMT2A (0.45) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL28046081 0.75 KMT2A (0.44) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL28114928 0.75 ALDH1A1 (0.37) KMT2AALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL345622 0.74 TDP1 (0.39) ALDH1A1CYP3A4TDP1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 KMT2A 3997/4885ALDH1A1 2716/4885LMNA 2754/4885

“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.