SCHEMBL8258317

SCHEMBL8258317

CC(=O)c1ccccc1N1CCC(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 3/20 0.56
USP2 O75604 2/20 0.56
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NR4A1 P22736 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6650052 0.87 KMT2A (0.60) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL3088803 0.85 NPC1 (0.66) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL29752319 0.85 NPC1 (0.66) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL11011200 0.83 ALDH1A1 (0.54) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL13698798 0.83 ALDH1A1 (0.59) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL6826072 0.83 ALDH1A1 (0.52) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL15478265 0.82 NPC1 (0.66) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL1481846 0.79 HDAC3 (0.55) KMT2AGAAALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9851652 0.79 NPC1 (0.67) KMT2AMEN1GAAUSP2ALDH1A1
SCHEMBL8259624 0.78 MAPT (0.49) KMT2AGAAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO 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 (2 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 KMT2A 2981/4885MEN1 2831/4885GAA 204/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO KMT2A 4156/4885MEN1 4779/4885GAA 217/4885

“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.