SCHEMBL21668629

SCHEMBL21668629

CNCCCCC(=O)NCCCCCC(=O)n1nc(N)c2c(-c3ccc(N)cc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.38
HDAC1 Q13547 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KDR P35968 8/20 0.37
FLT3 P36888 2/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
UBE2N P61088 1/20 0.36
VHL P40337 3/20 0.36
TOP2A P11388 1/20 0.36

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
SCHEMBL21386468 0.79 KDR (0.37) HDAC3HDAC1KDM4EALDH1A1GAA
SCHEMBL21386473 0.73 KDR (0.64) HDAC1KDRFLT3HDAC6
SCHEMBL21668695 0.73 KDR (0.64) HDAC1KDRFLT3HDAC6
SCHEMBL13973213 0.65 TPSAB1 (0.55) HDAC3HDAC1ALDH1A1GAAHDAC2
SCHEMBL25793510 0.63 CASP2 (0.55) ALDH1A1
SCHEMBL29967987 0.63 MEN1 (0.37) HDAC3HDAC1KDRFLT3HDAC2
SCHEMBL25030179 0.62 CASP2 (0.50) ALDH1A1
SCHEMBL27657561 0.61 KDR (0.44) ALDH1A1KDRFLT3
SCHEMBL21727789 0.61 CASP2 (0.48) ALDH1A1
SCHEMBL23616303 0.60 CASP2 (0.52) ALDH1A1

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-20200038371-A1 COMPOUND HAVING ANTICANCER ACTIVITY AND PREPARATION METHOD AND APPLICATION 3D MEDICINES (BEIJING) CO., LTD. (CN) 2020-02-06 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-20200038371-A1 COMPOUND HAVING ANTICANCER ACTIVITY AND PREPARATION METHOD AND APPLICATION HDGF, MKI67, LITAF HDAC3 3496/4885HDAC1 2833/4885KDM4E 1489/4885

“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.