SCHEMBL2840392

SCHEMBL2840392

COc1cc([N+](=O)[O-])c(C(N)=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 6/20 0.47
CYP3A4 P08684 3/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL348156 0.89 LMNA (0.57) POLBLMNAHTTMAPTCYP3A4
SCHEMBL6816420 0.88 MAPT (0.47) POLBLMNAHTTMAPTCYP3A4
SCHEMBL19037477 0.86 TSHR (0.53) POLBLMNAHTTMAPTCYP3A4
SCHEMBL8810085 0.83 MAPT (0.54) LMNAHTTMAPTCYP3A4BLM
SCHEMBL7216360 0.82 MAPT (0.57) LMNAHTTMAPTCYP3A4BLM
SCHEMBL6112750 0.81 MAPT (0.47) POLBLMNAMAPTCYP3A4L3MBTL1
SCHEMBL4639621 0.81 MAPT (0.47) POLBLMNAHTTMAPTL3MBTL1
SCHEMBL5502239 0.81 POLB (0.47) POLBLMNAHTTMAPTCYP3A4
SCHEMBL2601959 0.81 LMNA (0.64) POLBLMNAHTTMAPTCYP3A4
SCHEMBL6815706 0.81 POLB (0.49) POLBLMNAHTTMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 POLB 2622/4885LMNA 2151/4885HTT 3209/4885

“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.