SCHEMBL2811328

SCHEMBL2811328

NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cn2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDX3X O00571 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HDAC4 P56524 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AURKA O14965 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SCD O00767 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2782634 0.89 MEN1 (0.39) MEN1KMT2AP2RX7TP53SMN1; SMN2
SCHEMBL2811659 0.87 P2RX7 (0.40) P2RX7DDX3XAURKA
SCHEMBL2805177 0.87 P2RX7 (0.35) MEN1KMT2AP2RX7SMN1; SMN2DDX3X
SCHEMBL2806336 0.85 P2RX7 (0.34) MEN1KMT2AP2RX7DDX3XKDM4E
SCHEMBL2807472 0.84 P2RX7 (0.39) P2RX7AURKA
Hydrochloric Acid SCHEMBL2805225 0.83 P2RX7 (0.39) P2RX7AURKA
SCHEMBL2808542 0.82 CNR2 (0.41) KMT2A
SCHEMBL2805697 0.82 RAB9A (0.41) KMT2AP2RX7TP53SMN1; SMN2KDM4E
SCHEMBL184945 0.82 MT-CO2 (0.43) MEN1KMT2AKDM4EALDH1A1AURKA
SCHEMBL2811244 0.82 CNR2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MEN1 314/4885KMT2A 4682/4885P2RX7 30/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MEN1 314/4885KMT2A 4682/4885P2RX7 30/4885

“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.