SCHEMBL5552852

SCHEMBL5552852

[O-][N+](=Cc1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ABL1 P00519 1/20 0.43
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL8294650 0.88 LMNA (0.46) SERPINE1LMNAKDM4EABL1HTT
SCHEMBL8292433 0.82 MAPT (0.45) SERPINE1LMNAKDM4EABL1HTT
SCHEMBL5552939 0.82 MAPT (0.45) SERPINE1LMNAKDM4EABL1HTT
SCHEMBL5549798 0.80 SMO (0.49) SERPINE1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL417845 0.78 LMNA (0.53) LMNAKDM4EABL1HTTSMN1; SMN2
SCHEMBL8294653 0.76 SMO (0.49) SERPINE1LMNAKDM4EABL1HTT
SCHEMBL8292434 0.73 ALDH1A1 (0.41) LMNAKDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL27687511 0.73 ALDH1A1 (0.41) LMNAKDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL27728031 0.72 KDM4E (0.56) LMNAKDM4EABL1HTTSMN1; SMN2
SCHEMBL3967944 0.71 KDM4E (0.58) LMNAKDM4EABL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT SERPINE1 3857/4885LMNA 2903/4885KDM4E 3244/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT SERPINE1 3857/4885LMNA 2903/4885KDM4E 3244/4885

“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.