SCHEMBL995671

SCHEMBL995671

Cc1ccc(-c2nc(C)cs2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
EIF4E P06730 2/20 0.44
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
TXNRD1 Q16881 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL6415841 0.85 EIF4E (0.43) EIF4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL996247 0.83 TSHR (0.45) TSHRCYP3A4EIF4ETHRBSMN1; SMN2
SCHEMBL4459434 0.83 TSHR (0.45) TSHRCYP3A4EIF4ETHRBSMN1; SMN2
SCHEMBL996621 0.82 GAA (0.49) TSHRCYP3A4EIF4EALDH1A1MEN1
SCHEMBL4469426 0.82 TSHR (0.44) TSHRCYP3A4EIF4ETHRBSMN1; SMN2
SCHEMBL5506183 0.82 TSHR (0.44) TSHRCYP3A4EIF4ETHRBSMN1; SMN2
SCHEMBL829974 0.81 MGAM (0.51) EIF4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4466664 0.80 TSHR (0.42) TSHRCYP3A4EIF4ETHRBSMN1; SMN2
SCHEMBL11189916 0.78 TSHR (0.72) TSHRCYP3A4SMN1; SMN2ALDH1A1NPC1
SCHEMBL995622 0.78 TSHR (0.49) TSHRCYP3A4SMN1; SMN2ALDH1A1NPC1

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
CN-101273027-B The macrocyclic hcv inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-12-02 CN disclosed
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-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US 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
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN 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 TSHR 864/4885CYP3A4 51/4885EIF4E 3622/4885

“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.