SCHEMBL2804993

SCHEMBL2804993

COC(=O)c1ccc(Oc2cccc(CN)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.66
FAAH O00519 1/20 0.54
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
MMP13 P45452 1/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TNKS O95271 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK14 Q16539 1/20 0.46
ST14 Q9Y5Y6 2/20 0.46

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
Hydrochloric Acid SCHEMBL2804760 0.99 LOXL2 (0.64) LOXL2FAAHRAB9AMAPTMMP13
SCHEMBL12636516 0.88 LOXL2 (0.83) LOXL2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5213132 0.87 LOXL2 (0.71) LOXL2RAB9AMAPTMMP13NPC1
SCHEMBL27233596 0.87 FAAH (0.55) LOXL2FAAHRAB9AMAPTMMP13
SCHEMBL11167818 0.86 FAAH (0.54) LOXL2FAAHRAB9AMAPTMMP13
SCHEMBL883130 0.82 TNKS (0.60) RAB9AMAPTNPC1POLBBLM
SCHEMBL307892 0.80 LOXL2 (1.00) LOXL2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL29451790 0.80 LOXL2 (1.00) LOXL2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL921289 0.80 MAOB (0.61) MAPTSMN1; SMN2KMT2AST14
SCHEMBL184868 0.79 LOXL2 (1.00) LOXL2MAPTNPC1SMN1; SMN2CA1

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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 (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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 LOXL2 3165/4885FAAH 138/4885RAB9A 1615/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 LOXL2 3226/4885FAAH 218/4885RAB9A 1809/4885

“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.