SCHEMBL3450415

SCHEMBL3450415

CC(=O)Nc1ccc(S(=O)(=O)N2CC[N]CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 4/20 0.72
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 5/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 2/20 0.65
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.62
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL3300404 0.86 ALDH1A1 (0.84) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL4070839 0.85 ALDH1A1 (0.84) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL4759272 0.84 KMT2A (0.78) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL4075002 0.82 L3MBTL1 (1.00) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL29060821 0.82 KMT2A (0.72) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL12386393 0.82 KMT2A (0.72) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL18711452 0.82 KMT2A (0.76) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL8222210 0.81 KMT2A (0.70) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL18181909 0.81 NPC1 (0.70) KMT2AMEN1L3MBTL1ALDH1A1USP2
SCHEMBL27225850 0.80 NPC1 (0.69) KMT2AMEN1L3MBTL1ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 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-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ KMT2A 3090/4885MEN1 2477/4885L3MBTL1 4490/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE KMT2A 3089/4885MEN1 2985/4885L3MBTL1 4466/4885

“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.