SCHEMBL996759

SCHEMBL996759

Cc1ccc(-c2nc(C)cs2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NOS1 P29475 1/20 0.45
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
PLAU P00749 1/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL10049081 0.83 CYP17A1 (0.49) SMN1; SMN2CYP3A4ALOX15TP53PDE10A
SCHEMBL6206158 0.82 GABRA1 (0.43) SMN1; SMN2NOS1CYP3A4TP53PDE10A
SCHEMBL996557 0.80 SREBF2 (0.43) SMN1; SMN2CYP3A4TDP1ALOX15TP53
SCHEMBL5508859 0.80 CCR4 (0.39) SMN1; SMN2CYP3A4TDP1ALOX15TP53
SCHEMBL997139 0.78 MPL (0.49) SMN1; SMN2NOS1PDE10AALDH1A1GLA
SCHEMBL829862 0.77 PDE10A (0.53) SMN1; SMN2NOS1CYP3A4TDP1TP53
SCHEMBL1822397 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NOS1CYP3A4TP53PDE10A
SCHEMBL4460444 0.76 SLC6A4 (0.42) SMN1; SMN2CYP3A4TDP1ALOX15TP53
SCHEMBL30839750 0.75 TDP1 (0.65) SMN1; SMN2CYP3A4TDP1ALOX15TP53
SCHEMBL30839742 0.75 TDP1 (0.65) SMN1; SMN2CYP3A4TDP1ALOX15TP53

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 10 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-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 SMN1; SMN2 4354/4885NOS1 118/4885CYP3A4 51/4885

“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.