SCHEMBL979558

SCHEMBL979558

CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 2/20 0.38
ABL1 P00519 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PFKFB2 O60825 1/20 0.36
NSD2 O96028 1/20 0.36
PFKFB1 P16118 1/20 0.36
PFKFB3 Q16875 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
AS3MT Q9HBK9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIM1 P11309 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
SCHEMBL10256415 0.96 PTPN1 (0.44) NPSR1KMT2ARAB9ASMN1; SMN2PTPN1
SCHEMBL12107157 0.91 HTT (0.45) NPSR1NAMPTEGLN2KMT2ARAB9A
SCHEMBL10097335 0.88 PGR (0.45) KMT2ARAB9AHTTMEN1LMNA
SCHEMBL10095321 0.88 MTNR1A (0.47) NPSR1KMT2ARAB9AEPHX2HTT
SCHEMBL10095997 0.87 RORC (0.46) KMT2ARAB9ASMN1; SMN2MEN1LMNA
SCHEMBL980476 0.87 LMNA (0.46) KMT2ARAB9ASMN1; SMN2ABL1MEN1
SCHEMBL10095608 0.87 EPHX2 (0.41) KMT2ARAB9AEPHX2SMN1; SMN2MEN1
SCHEMBL10097254 0.87 NPSR1 (0.42) NPSR1KMT2AHTTSMN1; SMN2MEN1
SCHEMBL10097266 0.85 NAMPT (0.40) NPSR1NAMPTKMT2ARAB9AEPHX2
SCHEMBL10096609 0.85 ABL1 (0.42) KMT2AABL1MEN1AAK1JAK1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (5 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPSR1 3320/4885NAMPT 2872/4885EGLN2 203/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS NPSR1 2609/4885NAMPT 1682/4885EGLN2 1920/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPSR1 1853/4885NAMPT 590/4885EGLN2 1406/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPSR1 3320/4885NAMPT 2872/4885EGLN2 203/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP NPSR1 2722/4885NAMPT 601/4885EGLN2 2020/4885

“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.