SCHEMBL5315366

SCHEMBL5315366

CC(=O)c1ccc(NS(=O)(=O)c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.72
MEN1 O00255 8/20 0.72
MAPK1 P28482 6/20 0.72
LMNA P02545 5/20 0.72
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
MAPT P10636 3/20 0.72
POLB P06746 2/20 0.71
KDM4E B2RXH2 1/20 0.70
GALR3 O60755 1/20 0.70
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.55
CA12 O43570 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
SCHEMBL5316011 0.87 MEN1 (0.64) KMT2AMEN1MAPK1LMNARAB9A
SCHEMBL5315209 0.86 KMT2A (0.69) KMT2AMEN1MAPK1LMNARAB9A
SCHEMBL540760 0.83 HRH3 (0.65) KMT2AMAPK1RAB9ANPC1KDM4E
SCHEMBL4922787 0.82 NPC1 (0.65) KMT2AMAPK1LMNARAB9ANPC1
SCHEMBL5314882 0.81 HDAC3 (0.65) KMT2AMEN1LMNAPOLBKDM4E
SCHEMBL3920768 0.77 HRH3 (0.56) KMT2AMEN1MAPK1LMNARAB9A
SCHEMBL5559651 0.76 ALDH1A1 (0.64) KMT2AMAPK1LMNAPOLBALDH1A1
SCHEMBL4743824 0.75 KMT2A (0.58) KMT2AMEN1MAPK1LMNARAB9A
SCHEMBL11926732 0.74 ALDH1A1 (0.73) KMT2AMEN1MAPK1LMNARAB9A
SCHEMBL4725306 0.74 POLB (0.54) KMT2AMEN1MAPK1LMNARAB9A

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-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 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-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 KMT2A 52/4885MEN1 4108/4885MAPK1 1811/4885

“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.