SCHEMBL13096099

SCHEMBL13096099

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)n(CC(=O)NCCCCCN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 2/20 0.33
NR1I2 O75469 3/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL15233632 0.91 NR1I2 (0.34) MAPTLMNAALDH1A1NPSR1NR1I2
SCHEMBL13768486 0.89 NR1I2 (0.34) MAPTNR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL10293499 0.86 NR1I2 (0.37) MAPTNR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL13096091 0.85 NR1I2 (0.37) MAPTNR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL1955925 0.82 KMT2A (0.36) MAPTLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL10293526 0.81 MAPT (0.39) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL13096106 0.81 PRKCA (0.37) MAPTNR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL13096087 0.81 MAPT (0.34) MAPTLMNAALDH1A1NPSR1NR1I2
SCHEMBL13096090 0.80 MAPT (0.39) MAPTLMNAALDH1A1NPSR1NR1I2
SCHEMBL10293502 0.80 PRKCA (0.38) MAPTNR1I2CYP3A4CYP2C9CYP2C19

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 4 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-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-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 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-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors IDO1, HCCS, IDO2 MAPT 2712/4885LMNA 2494/4885ALDH1A1 802/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 MAPT 2712/4885LMNA 2494/4885ALDH1A1 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.