SCHEMBL313086

SCHEMBL313086

COc1ccc2c(Cl)cc(Cl)nc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NQO2 P16083 2/20 0.41
PDE4D Q08499 4/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
MAPT P10636 3/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
CYP17A1 P05093 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
NQO1 P15559 1/20 0.36
PDPK1 O15530 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
SCHEMBL314537 0.86 ALDH1A1 (0.42) ALDH1A1NQO2PDE4DPDE4APDE4B
SCHEMBL13090541 0.85 LMNA (0.46) ALDH1A1NQO2PDE4DCYP19A1CYP11B1
SCHEMBL288555 0.83 CYP19A1 (0.42) ALDH1A1NQO2PDE4DCYP19A1CYP11B1
SCHEMBL1564603 0.81 NQO2 (0.54) ALDH1A1NQO2MAPTHSP90AA1HSP90AB1
SCHEMBL29420526 0.81 NQO2 (0.54) ALDH1A1NQO2MAPTHSP90AA1HSP90AB1
SCHEMBL26215435 0.77 MAPT (0.39) ALDH1A1MAPTHSP90AA1KDM4ENPC1
SCHEMBL8143673 0.77 PDE10A (0.39) ALDH1A1PDE4DCYP19A1CYP11B1CYP11B2
SCHEMBL26998833 0.77 KDM4E (0.40) ALDH1A1NQO2PDE4DMAPTHSP90AA1
SCHEMBL6407176 0.77 MAPT (0.53) ALDH1A1NQO2MAPTHSP90AA1HSP90AB1
SCHEMBL8135669 0.75 G6PD (0.41) ALDH1A1CYP19A1CYP11B1CYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
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-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 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
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (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-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2504/4885NQO2 2350/4885PDE4D 4188/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885NQO2 2894/4885PDE4D 4366/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 ALDH1A1 1406/4885NQO2 2742/4885PDE4D 4331/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NQO2 2741/4885PDE4D 3727/4885

“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.