SCHEMBL5331656

SCHEMBL5331656

CCOc1ccc2nc(NC(=O)CN3CCN(C(=O)CCCCC(C)=S)CC3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TP53 P04637 2/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
CLK1 P49759 1/20 0.53

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
SCHEMBL5331662 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL14544241 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL14544239 0.90 SMN1; SMN2 (0.60) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL5334262 0.89 SMN1; SMN2 (0.59) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL5330710 0.87 CLK1 (0.68) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL5336629 0.86 CLK1 (0.67) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL5333557 0.84 SLC27A1 (0.57) ALDH1A1POLBMAPTCLK1
SCHEMBL5374246 0.83 SLC27A1 (0.56) ALDH1A1POLBMAPTCLK1
SCHEMBL8533002 0.79 SMN1; SMN2 (0.70) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL14520801 0.79 ALDH1A1 (0.53) SMN1; SMN2LMNAUSP2TSHRALDH1A1

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 3 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
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 SMN1; SMN2 3872/4885LMNA 1686/4885USP2 2376/4885

“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.