SCHEMBL996294

SCHEMBL996294

CCc1cnc(-c2ccc(C)cc2[N+](=O)[O-])s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
EP300 Q09472 1/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR4 O95977 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KAT2B Q92831 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL996773 0.83 GAA (0.43) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL997454 0.77 TDP1 (0.37) CYP3A4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL996247 0.75 TSHR (0.45) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL11189916 0.73 TSHR (0.72) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL995622 0.72 TSHR (0.49) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL26759059 0.71 XDH (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL995671 0.71 TSHR (0.50) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL30978368 0.70 TSHR (0.53) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL29226886 0.70 TSHR (0.53) TSHRCYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL5499615 0.70 TSHR (0.49) TSHRCYP3A4SMN1; SMN2NPC1RAB9A

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 13 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
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
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 51/4885SMN1; SMN2 4354/4885

“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.