SCHEMBL19656582

SCHEMBL19656582

N#Cc1ccc(-c2ccc(C(=O)CC(=O)c3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
RORC P51449 1/20 0.45
KDM1A O60341 7/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P4HB P07237 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAP4K4 O95819 1/20 0.41
RARB P10826 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17855536 0.84 MAPT (0.48) KDM1APDE3BPDE3AP4HBGAA
SCHEMBL17857765 0.79 GSK3B (0.63) GSK3BCA1CA2ALDH1A1MAPT
SCHEMBL15999132 0.79 MAP4K4 (0.52) PDE3BPDE3ASLC22A12MAP4K4RARB
SCHEMBL14240796 0.77 RAB9A (0.49) GSK3BKDM1AP4HBGAASMN1; SMN2
SCHEMBL11983785 0.77 GSK3B (0.70) GSK3BSMN1; SMN2CA1CA2ALDH1A1
SCHEMBL7442833 0.77 MMP2 (0.41) RORCKDM1APDE3BPDE3AP4HB
SCHEMBL7442828 0.77 MMP2 (0.41) RORCKDM1APDE3BPDE3AP4HB
SCHEMBL16841030 0.76 RORC (0.43) RORCKDM1APDE3BPDE3ASLC22A12
SCHEMBL15613720 0.76 KDM4E (0.43) RORCKDM1APDE3BPDE3AGAA
SCHEMBL19367865 0.76 GSK3B (0.59) GSK3BSMN1; SMN2CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 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 (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-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 GSK3B 746/4885RORC 1610/4885KDM1A 3523/4885

“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.