SCHEMBL5330719

SCHEMBL5330719

Cc1ccc2nc(NC(=O)CN3CCN(C(=O)CCCCC(=O)CS)CC3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.53
MITF O75030 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.51
STAT1 P42224 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ACP1 P24666 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL5336636 0.99 CLK1 (0.67) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5329733 0.93 CLK1 (0.68) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5330710 0.89 CLK1 (0.68) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL14520833 0.89 CLK1 (0.68) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5336629 0.88 CLK1 (0.67) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5331662 0.87 SMN1; SMN2 (0.62) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5334215 0.87 SLC27A1 (0.58) CLK1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL14520798 0.87 CLK1 (0.65) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL14520797 0.86 CLK1 (0.64) CLK1SMN1; SMN2HTTRAB9APOLB
SCHEMBL5461588 0.86 HDAC1 (0.58) CLK1POLBALDH1A1MAPTKMT2A

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 CLK1 2197/4885SMN1; SMN2 3872/4885HTT 1158/4885

“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.