SCHEMBL979725

SCHEMBL979725

CCn1c(C#Cc2ccc(CNS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTT P42858 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL981436 0.87 MAPT (0.38) CYP11B2HTTKDM4EMAPK1LMNA
SCHEMBL10095291 0.85 L3MBTL1 (0.46) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL2881278 0.83 KDM4E (0.41) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL10095376 0.83 L3MBTL1 (0.41) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL981984 0.83 PGR (0.43) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL10095295 0.82 KDM4E (0.44) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL10095361 0.82 MAPT (0.44) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL982205 0.81 KDM4E (0.43) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL10095385 0.81 APP (0.46) HTTKDM4EMAPK1LMNAMEN1
SCHEMBL10095360 0.81 KDM4E (0.43) HTTKDM4EMAPK1LMNAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US 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 (2 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CNR1 992/4885CYP19A1 2583/4885CYP11B1 696/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CNR1 1207/4885CYP19A1 3749/4885CYP11B1 1044/4885

“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.