SCHEMBL3697643

SCHEMBL3697643

COc1ccc(-c2cn[nH]n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.63
METAP1 P53582 1/20 0.63
NOTUM Q6P988 1/20 0.58
HAO1 Q9UJM8 2/20 0.58
IDO1 P14902 3/20 0.57
KEAP1 Q14145 1/20 0.57
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
XDH P47989 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.47

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
SCHEMBL22627332 0.80 METAP2 (0.62) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL28070596 0.78 METAP2 (1.00) METAP2METAP1NOTUMHAO1IDO1
SCHEMBL28741942 0.75 METAP2 (0.56) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL15660084 0.74 METAP2 (0.64) METAP2HAO1IDO1NPC1MAPT
SCHEMBL28033548 0.74 METAP2 (0.64) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL104083 0.74 METAP2 (0.64) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL29626826 0.74 METAP2 (1.00) METAP2METAP1NOTUMHAO1IDO1
SCHEMBL8221447 0.73 METAP2 (1.00) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL13996093 0.73 NPC1 (0.63) IDO1NPC1MAPTMAPK1RAB9A
SCHEMBL1186757 0.72 AKT2 (0.57) NPC1MAPTMAPK1RAB9AKMT2A

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
CN-105062502-B Liquid-crystal compounds and its preparation method and use containing penta azacyclo 华南师范大学 2017-08-25 CN disclosed
CN-105062502-A Liquid crystal compound containing five membered nitrogen-containing heterocycles, as well as synthesizing method and application thereof UNIV SOUTH CHINA NORMAL 2015-11-18 CN disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 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 (1 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC METAP2 216/4885METAP1 93/4885NOTUM 638/4885

“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.