SCHEMBL17469741

SCHEMBL17469741

N=C(N)c1ccc(/N=N/N(CCN2CCOCC2)c2ccccc2C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
ACHE P22303 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 2/20 0.32
GRM5 P41594 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX5 P09917 2/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL17469742 0.76 NQO2 (0.36)
SCHEMBL17469740 0.74 PRSS1 (0.34) F7ALDH1A1
SCHEMBL17469730 0.66 TMPRSS2 (0.48) F10F7SMN1; SMN2ALDH1A1LMNA
SCHEMBL17469657 0.59 TMPRSS2 (0.56) SMN1; SMN2ALDH1A1MAPT
SCHEMBL430022 0.59 GAA (0.64) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8160776 0.58 CD274 (0.55) CD274GRM5ALDH1A1LMNAMAPT
SCHEMBL17469669 0.57 TMPRSS2 (0.52) F10F7SMN1; SMN2ALDH1A1LMNA
SCHEMBL28995725 0.57 NPC1 (0.37) SMN1; SMN2GRM5ALDH1A1MAPTKDM4E
SCHEMBL18574217 0.56 ASIC3 (0.71) F10F7GRM5LMNAMAPT
SCHEMBL8973401 0.56 ASIC3 (0.58) F10F7ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MAPK14 3473/4885CD274 2203/4885ACHE 1080/4885

“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.