SCHEMBL2806191

SCHEMBL2806191

COC(=O)CCCN(C)CCCCO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 3/20 0.52
KDM5A P29375 9/20 0.51
LTA4H P09960 3/20 0.46
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4C Q9H3R0 7/20 0.38
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
DNM1 Q05193 1/20 0.36
PHF8 Q9UPP1 2/20 0.36

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
SCHEMBL8374162 0.90 MEN1 (0.61) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL14430424 0.90 MEN1 (0.71) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL8375565 0.87 KMT2A (0.57) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL18499076 0.86 KMT2A (0.65) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL12168832 0.85 KDM5A (0.69) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL23016787 0.83 KDM5A (0.69) MEN1KMT2ATSHRKDM5AKDM4C
SCHEMBL22483458 0.83 MEN1 (0.57) MEN1KMT2ATSHRKDM5ALTA4H
SCHEMBL4007439 0.83 KDM5A (0.69) MEN1KMT2ATSHRKDM5AKDM4C
SCHEMBL23016785 0.83 KDM5A (0.69) MEN1KMT2ATSHRKDM5AKDM4C
SCHEMBL26629541 0.82 MEN1 (0.79) MEN1KMT2ATSHRKDM5ALTA4H

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
CN-101663284-A Macrocyclic compounds as hcv ns3 protease inhibitors NOVARTIS AG 2010-03-03 CN disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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 (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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MEN1 4723/4885KMT2A 3834/4885TSHR 4756/4885

“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.