SCHEMBL3603682

SCHEMBL3603682

O=C(O)/C=C1\CCOc2cc(SC(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PPARG P37231 1/20 0.33
ITGAL P20701 7/20 0.32
ITGB2 P05107 6/20 0.32
ICAM1 P05362 6/20 0.32
GRM5 P41594 2/20 0.32
KCNK2 O95069 1/20 0.31
KCNK10 P57789 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 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
SCHEMBL29633435 0.81 PRMT5 (0.37) ALDH1A1MAPTMAOAMAOBESR1
SCHEMBL1451522 0.81 PRMT5 (0.37) ALDH1A1MAPTMAOAMAOBESR1
SCHEMBL1451524 0.81 PRMT5 (0.37) ALDH1A1MAPTMAOAMAOBESR1
SCHEMBL3592598 0.77 MAOB (0.54) ALDH1A1MAOAMAOBGRM5
SCHEMBL9063116 0.76 MAOB (0.39) ALDH1A1LMNAMAPTTSHRMAOA
SCHEMBL1450816 0.75 CYP19A1 (0.37) ALDH1A1MAPTTSHRMAPK1MAOA
SCHEMBL1450813 0.75 CYP19A1 (0.37) ALDH1A1MAPTTSHRMAPK1MAOA
SCHEMBL1451268 0.73 NPC1 (0.40)
SCHEMBL1451265 0.73 NPC1 (0.40)
SCHEMBL1451350 0.73 NPC1 (0.40)

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885LMNA 251/4885MAPT 4758/4885

“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.