SCHEMBL1075413

SCHEMBL1075413

Nc1cccc(OCCNc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
DDX3X O00571 1/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
THRB P10828 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL13623174 0.83 ITK (0.47) MAPTTSHRALDH1A1THRB
SCHEMBL1026407 0.81 MEN1 (0.60) DDX3XMAPTALDH1A1THRB
SCHEMBL1026409 0.81 MEN1 (0.60) DDX3XMAPTALDH1A1THRB
SCHEMBL1025746 0.80 SMN1; SMN2 (0.47) DDX3XMAPTMAOBTSHRALDH1A1
SCHEMBL1028344 0.79 F2 (0.40) F2MAPTMAOBTSHR
SCHEMBL441754 0.79 MTNR1A (0.52) MAOBTSHRALDH1A1
SCHEMBL9953676 0.78 L3MBTL1 (0.53) MAOBTSHRALDH1A1
SCHEMBL4360886 0.76 CTSC (0.45)
SCHEMBL1025424 0.75 DDX3X (0.74) DDX3XMAPTALDH1A1HDAC3HDAC4
SCHEMBL595283 0.75 THRB (0.52) MAPTTSHRALDH1A1NR1H4THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK F2 3896/4885DDX3X 3846/4885MAPT 3239/4885

“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.