SCHEMBL6844940

SCHEMBL6844940

OCc1ccc2c(Cl)cc(Cl)nc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4E B2RXH2 6/20 0.34
HTT P42858 5/20 0.34
LMNA P02545 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
MMP14 P50281 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
HSP90AA1 P07900 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
SLC6A2 P23975 2/20 0.34
OPRK1 P41145 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL26215435 0.77 MAPT (0.39) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL2744815 0.77 ESR1 (0.43) MAPTL3MBTL1KDM4EHTTLMNA
SCHEMBL27975441 0.72 ESR1 (0.42) MAPTSMN1; SMN2MEN1CYP3A4ALOX15
SCHEMBL14690812 0.70 NR4A2 (0.50) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL29498093 0.69 MAPT (0.69) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL27294564 0.69 NQO2 (0.49) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL8140334 0.69 MAPT (0.69) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL31685132 0.69 NQO2 (0.49) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL12708300 0.69 SOS2 (0.36) L3MBTL1KDM4EHTTLMNASMN1; SMN2
SCHEMBL23202869 0.69 ELANE (0.41) MAPTL3MBTL1CCR1CCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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 (4 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3005/4885L3MBTL1 2978/4885CCR1 1268/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885L3MBTL1 2994/4885CCR1 1500/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885L3MBTL1 2994/4885CCR1 1500/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885L3MBTL1 2994/4885CCR1 1500/4885

“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.