SCHEMBL4550392

SCHEMBL4550392

CC(N)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE2A O00408 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.33
CETP P11597 1/20 0.33
ADRB1 P08588 1/20 0.33
MIF P14174 1/20 0.33
ADRA1A P35348 1/20 0.33

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
Hydrochloric Acid SCHEMBL2717881 0.98 KDM4E (0.37) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL12610671 0.85 ALDH1A1 (0.41) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL27685083 0.82 KDM4E (0.34) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL24781619 0.79 HDAC4 (0.45) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL28268269 0.79 AURKA (0.41) KDM4EALDH1A1PDE2ALMNAMAPT
SCHEMBL10409329 0.79 MAOA (0.38) KDM4EALDH1A1LMNAMAPTSLC6A4
SCHEMBL27797880 0.78 LMNA (0.33) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL27797879 0.78 MAPT (0.39) KDM4EALDH1A1PDE2ALMNAMAPT
SCHEMBL20718661 0.77 SLC6A4 (0.42) MAPTMAPK1SLC6A4HTR2AHTR2B
SCHEMBL3649499 0.77 KDM4E (0.54) KDM4EALDH1A1TDP1PDE2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI KDM4E 260/4885ALDH1A1 293/4885TDP1 1594/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A KDM4E 1168/4885ALDH1A1 1358/4885TDP1 2033/4885

“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.