SCHEMBL2295386

SCHEMBL2295386

O=C(Nc1cccnc1)ON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 1/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSF1R P07333 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2289836 0.90 EPHX2 (0.47) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL2291074 0.89 LMNA (0.53) KMT2AMEN1ALDH1A1LMNAHSD17B10
SCHEMBL2292064 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2292202 0.86 MEN1 (0.50) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2292379 0.85 TSHR (0.50) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2294071 0.85 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1LMNAHSD17B10
SCHEMBL2294488 0.83 L3MBTL1 (0.49) ALDH1A1LMNATSHRKDM4EL3MBTL1
SCHEMBL2296034 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2292731 0.83 TRPV1 (0.49) KMT2AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL2294491 0.82 EPHX2 (0.45) KMT2AMEN1ALDH1A1LMNAHSD17B10

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 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 (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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S KMT2A 2564/4885MEN1 3484/4885ALDH1A1 1349/4885

“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.