SCHEMBL6430155

SCHEMBL6430155

CNC(=O)CCCNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
NCOR2 Q9Y618 4/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 4/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
HTR1A P08908 2/20 0.35

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
SCHEMBL6426050 0.95 POLB (0.39) POLBDRD2DRD4DRD3HPGD
SCHEMBL6427398 0.92 DRD2 (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6428558 0.91 DRD2 (0.39) DRD2DRD4DRD3HPGDSMN1; SMN2
SCHEMBL4150244 0.90 POLB (0.40) POLBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4150256 0.90 POLB (0.40) POLBDRD2DRD4DRD3SMN1; SMN2
SCHEMBL6425796 0.90 DRD2 (0.37) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6425942 0.89 DRD2 (0.39) DRD2DRD4DRD3HPGDSMN1; SMN2
SCHEMBL6427834 0.88 WNT1 (0.40) POLBDRD2DRD4DRD3HPGD
SCHEMBL6426055 0.88 DRD2 (0.38) DRD2DRD4DRD3HPGDSMN1; SMN2
SCHEMBL6426323 0.88 ABL1 (0.37) DRD2DRD4DRD3HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HDAC6 321/4885HDAC3 148/4885HDAC4 547/4885

“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.