SCHEMBL4434355

SCHEMBL4434355

CCN(C(=O)OC(C)(C)C)c1cc(Sc2cccc(F)c2)n(-c2cccnc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CPB2 Q96IY4 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A9 P48067 5/20 0.32
GRM5 P41594 2/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL3805129 0.83 HTR2C (0.45) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL4432516 0.80 HTR6 (0.37) HDAC1HDAC8HDAC6
SCHEMBL3701560 0.77 THRB (0.46) TP53MAPT
SCHEMBL16333316 0.74 KMT2A (0.36) MAPTSLC6A9
SCHEMBL3703976 0.73 NOTUM (0.33) SLC6A9GRM5
SCHEMBL4130894 0.73 SLC6A9 (0.36) TP53MAPTSLC6A9CA2CA4
SCHEMBL3707175 0.73 SLC6A9 (0.33) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL3805131 0.72 SLC6A9 (0.36) TP53MAPTSLC6A9GRM5
SCHEMBL3697121 0.71 NOTUM (0.34)
SCHEMBL4130901 0.71 TP53 (0.34) TP53MAPTSLC6A9CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 HDAC1 466/4885HDAC8 696/4885HDAC6 63/4885

“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.