SCHEMBL2840001

SCHEMBL2840001

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 2/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CHEK1 O14757 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4132806 0.93 LMNA (0.48) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3103536 0.87 LMNA (0.59) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL8352370 0.86 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL10814747 0.85 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL11251378 0.85 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2955974 0.83 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL8536622 0.81 MERTK (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2874199 0.81 LMNA (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL30435204 0.81 MERTK (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL19418741 0.81 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15

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 11 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
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
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 ALDH1A1 380/4885MAPT 4860/4885CYP3A4 318/4885

“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.