SCHEMBL5451271

SCHEMBL5451271

O=C(CS)CCCCC(=O)N1CCN(CC(=O)Nc2nc([N+](=O)[O-])cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 3/20 0.38
AHR P35869 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
HTT P42858 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
SCHEMBL5332966 0.99 KDM4E (0.39) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5458782 0.88 KDM4E (0.41) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5332957 0.87 KDM4E (0.41) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5334979 0.84 KDM4E (0.58) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5333039 0.83 KDM4E (0.57) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5421106 0.78 KCNA5 (0.52) LMNASMN1; SMN2KMT2A
SCHEMBL5334215 0.74 SLC27A1 (0.58) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL5461588 0.73 HDAC1 (0.58) ALDH1A1KMT2AMAPTMEN1
SCHEMBL5330719 0.73 CLK1 (0.68) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL5336636 0.72 CLK1 (0.67) KDM4ELMNASMN1; SMN2NPC1ALDH1A1

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
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US claimed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 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-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 KDM4E 453/4885USP2 2376/4885ALOX15 3802/4885

“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.