SCHEMBL13096090

SCHEMBL13096090

CNCCCCNC(=O)Cn1c(-c2ccc(OC)cc2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SCN9A Q15858 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACHE P22303 1/20 0.36
MDM2 Q00987 2/20 0.36
MDM4 O15151 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
NR1I2 O75469 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL10293526 0.99 MAPT (0.39) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL13096091 0.87 NR1I2 (0.37) MAPTSCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL10293499 0.87 NR1I2 (0.37) MAPTSCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL13096087 0.86 MAPT (0.34) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL2906906 0.85 MAPT (0.45) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL10293524 0.85 MAPT (0.37) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL10293466 0.84 PRKCA (0.43) MAPTSCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL10293517 0.83 NR1I2 (0.37) MAPTSCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL15233632 0.83 NR1I2 (0.34) MAPTSCN9AALDH1A1LMNACYP3A4
SCHEMBL2905366 0.82 MAPT (0.41) MAPTSCN9AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 US disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 US disclosed
WO-2009080836-A2 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-07-02 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 (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-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors IDO1, HCCS, IDO2 MAPT 2712/4885SCN9A 3800/4885ALDH1A1 802/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 MAPT 2712/4885SCN9A 3800/4885ALDH1A1 802/4885

“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.