SCHEMBL586725

SCHEMBL586725

CC(C)Nc1nc(-c2ccc3c(c2)C[N]C3)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38

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
SCHEMBL330127 0.83 TYR (0.47) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL14539643 0.77 TYR (0.47) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL586497 0.77 ALDH1A1 (0.55) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL12767914 0.76 TYR (0.62) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL24590457 0.75 MAOB (0.57) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL24590311 0.74 MEN1 (0.64) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL12767912 0.74 NPC1 (0.60) TYRRAB9ANPC1MEN1KMT2A
SCHEMBL24590360 0.74 NPY5R (0.57) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL24590352 0.74 TYR (0.67) TYRRAB9ANPC1MAPTALDH1A1
SCHEMBL4082533 0.74 MAPT (0.68) TYRRAB9ANPC1MAPTALDH1A1

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 10 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
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TYR 3356/4885RAB9A 2215/4885NPC1 427/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TYR 3356/4885RAB9A 2215/4885NPC1 427/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TYR 3356/4885RAB9A 2215/4885NPC1 427/4885

“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.