SCHEMBL996802

SCHEMBL996802

CCc1cccc(-c2ccc(C)cc2N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.41
NOS1 P29475 3/20 0.41
TGFBR1 P36897 5/20 0.39
NOS3 P29474 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TLR8 Q9NR97 1/20 0.34
ESR1 P03372 1/20 0.33
CA1 P00915 1/20 0.33
GRM5 P41594 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL995546 0.80 CCR1 (0.52) NOS2TGFBR1NOS3TDP1ALOX15
SCHEMBL13745641 0.74 KCNH2 (0.39) NOS2NOS1TGFBR1ALDH1A1TLR8
SCHEMBL28888400 0.73 CTSS (0.49) TDP1SMN1; SMN2HEXAHEXBTLR8
SCHEMBL996557 0.73 SREBF2 (0.43) NOS2NOS3TDP1ALOX15TP53
SCHEMBL244011 0.73 CCR1 (0.46) NOS2NOS1TGFBR1TDP1ALOX15
SCHEMBL28396757 0.73 SREBF2 (0.44) TGFBR1TDP1SMN1; SMN2ALDH1A1HEXA
SCHEMBL21018312 0.72 CCR1 (0.41) TGFBR1THRBHSD17B10
SCHEMBL15920129 0.72 IRAK4 (0.38) NOS2NOS1HSD17B10ESR1
SCHEMBL17039118 0.71 HEXA (0.41) TGFBR1ALOX15CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL13623090 0.71 ASIC3 (0.48) NOS2NOS1TGFBR1NOS3

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 6 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
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 NOS2 286/4885NOS1 118/4885TGFBR1 1692/4885

“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.