SCHEMBL5334983

SCHEMBL5334983

CC(=S)CCCCC(=O)N1CCN(CC(=O)Nc2nc(C)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5333035 0.99 KDM4E (0.57) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5334979 0.88 KDM4E (0.58) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL14520832 0.88 KDM4E (0.58) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5335453 0.87 KMT2A (0.45) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL14520790 0.87 HSD17B10 (0.55) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5333039 0.87 KDM4E (0.57) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL14520803 0.86 KDM4E (0.54) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5458782 0.85 KDM4E (0.41) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5332957 0.84 KDM4E (0.41) KDM4EUSP2ALOX15HSD17B10SMN1; SMN2
SCHEMBL5421095 0.83 KCNA5 (0.53) SMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US claimed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
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.