SCHEMBL1956161

SCHEMBL1956161

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3OCc3ccccc3)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SCN9A Q15858 6/20 0.45
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
CNR2 P34972 1/20 0.40
PTGER1 P34995 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL1981559 0.93 HDAC1 (0.46) HDAC1HDAC8HDAC6SCN9ACYP3A4
SCHEMBL1981341 0.90 SCN9A (0.46) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL1980881 0.83 SCN9A (0.48) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL2875194 0.83 SCN9A (0.48) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL1956138 0.83 PRKCA (0.48) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL771223 0.82 PRKCA (0.43) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL1953244 0.81 SCN9A (0.40) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL1979510 0.81 SCN9A (0.43) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL3593913 0.81 HDAC1 (0.37) HDAC1HDAC8HDAC6SCN9APRKCA
SCHEMBL1980564 0.81 PTGDR2 (0.46) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102124012-B Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARM LTD 2014-07-02 CN disclosed
EP-2331554-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN R & D IRELAND (IE) 2013-03-06 EP disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
CN-102124012-A Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARM LTD 2011-07-13 CN disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
EP-2331554-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS Tibotec Pharmaceuticals (IE) 2011-06-15 EP disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 WO disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 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-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, IDO2, ZC3HAV1 HDAC1 554/4885HDAC8 1784/4885HDAC6 947/4885

“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.