SCHEMBL8294653

SCHEMBL8294653

O/[N+](=C\c1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CHRM4 P08173 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ABL1 P00519 1/20 0.43
SERPINE1 P05121 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5549798 0.88 SMO (0.49) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL8294650 0.80 LMNA (0.46) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL5552939 0.78 MAPT (0.45) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL8292433 0.78 MAPT (0.45) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL417845 0.78 LMNA (0.53) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL5552852 0.76 SERPINE1 (0.44) SMOSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL14390328 0.73 ALDH1A1 (0.45) SMN1; SMN2HTTHPGDALDH1A1TSHR
SCHEMBL13234632 0.72 SMN1; SMN2 (0.59) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL13216762 0.69 MAPT (0.52) SMOSMN1; SMN2HTTHPGDALDH1A1
SCHEMBL3245562 0.68 LMNA (0.53) SMOSMN1; SMN2HTTHPGDALDH1A1

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-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
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 (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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT SMO 3440/4885SMN1; SMN2 155/4885HTT 26/4885

“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.