SCHEMBL578404

SCHEMBL578404

Cc1ccc(-c2cc(O)nc(-n3ccc(C(F)(F)F)n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SDHB P21912 1/20 0.43
IDH1 O75874 5/20 0.42
IDH2 P48735 1/20 0.42
PRMT6 Q96LA8 1/20 0.40
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL577980 0.88 KDM4E (0.52) MAPTSMN1; SMN2ALDH1A1IDH1IDH2
SCHEMBL578368 0.87 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1IDH1IDH2
SCHEMBL578046 0.87 SMN1; SMN2 (0.57) MAPTSMN1; SMN2ALDH1A1IDH1NPC1
SCHEMBL578173 0.86 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1THRBKDM4E
SCHEMBL13147676 0.86 PRMT6 (0.45) MAPTSMN1; SMN2ALDH1A1SDHBIDH1
SCHEMBL11926442 0.85 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1IDH1IDH2
SCHEMBL577945 0.84 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1SDHBTHRB
SCHEMBL577922 0.82 IDH1 (0.49) MAPTSMN1; SMN2ALDH1A1IDH1IDH2
SCHEMBL578057 0.79 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1IDH1IDH2
SCHEMBL577847 0.79 PRMT6 (0.40) MAPTSMN1; SMN2ALDH1A1SDHBIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP 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
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
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
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885SMN1; SMN2 2642/4885ALDH1A1 1913/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 MAPT 3077/4885SMN1; SMN2 2642/4885ALDH1A1 1913/4885

“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.