SCHEMBL4334116

SCHEMBL4334116

Nc1cccc(CSc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1027572 0.88 DDX3X (0.45) DDX3XMAPTALDH1A1HDAC3HDAC4
SCHEMBL1024997 0.85 DDX3X (0.50) DDX3XMAPTALDH1A1HDAC3HDAC4
SCHEMBL13623087 0.82 SIRT2 (0.43) DDX3XMAPTALDH1A1HDAC3HDAC1
SCHEMBL1027528 0.80 MAPT (0.47) DDX3XMAPTALDH1A1HDAC3HDAC4
SCHEMBL4334746 0.80 MAOA (0.58) DDX3XMAPTALDH1A1HDAC3HDAC4
SCHEMBL1075239 0.80 MEN1 (0.64) DDX3XMAPTHTTALDH1A1MEN1
SCHEMBL1075240 0.80 MEN1 (0.64) DDX3XMAPTHTTALDH1A1MEN1
SCHEMBL1026445 0.78 JAK3 (0.42) MAPT
SCHEMBL18409933 0.77 MAOB (0.57) ALDH1A1MEN1KMT2ACYP3A4POLB
SCHEMBL1025424 0.77 DDX3X (0.74) DDX3XMAPTALDH1A1HDAC3HDAC4

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 3 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
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 DDX3X 3846/4885MAPT 3239/4885HTT 2476/4885

“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.