SCHEMBL3453099

SCHEMBL3453099

[CH2]c1ccc(C#CCN2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.79
HRH3 Q9Y5N1 16/20 0.55
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL22422293 0.91 LMNA (0.96) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL18926546 0.89 LMNA (1.00) LMNAHRH3ALDH1A1
SCHEMBL3452777 0.85 LMNA (0.57) LMNAHRH3ALDH1A1TSHR
SCHEMBL3452182 0.83 LMNA (0.58) LMNAHRH3
SCHEMBL3450947 0.83 LMNA (0.58) LMNAHRH3ALDH1A1
SCHEMBL3450624 0.83 LMNA (0.58) LMNAHRH3
SCHEMBL5730258 0.82 LMNA (0.79) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL5730065 0.81 LMNA (0.78) LMNAHRH3ALDH1A1
SCHEMBL3453065 0.80 LMNA (0.54) LMNAHRH3
SCHEMBL3450190 0.80 LMNA (0.54) LMNAHRH3

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 LMNA 3229/4885HRH3 1245/4885KDM4E 1982/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE LMNA 3123/4885HRH3 584/4885KDM4E 1465/4885

“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.