SCHEMBL4077733

SCHEMBL4077733

CCOC(=O)C=Cc1cccc(CN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL4080279 0.94 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTL3MBTL1ALOX5
SCHEMBL4080500 0.87 PTGER4 (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1ALOX5
SCHEMBL5574390 0.87 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTL3MBTL1ALOX5
SCHEMBL4077453 0.81 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL4077776 0.81 PTGER4 (0.55) ALDH1A1SMN1; SMN2MAPTALOX5PTGER4
SCHEMBL4084927 0.79 PTGER4 (0.42) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL5574386 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTL3MBTL1ALOX5
SCHEMBL15163216 0.78 PTGER4 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1PTGER4
SCHEMBL4087627 0.78 PTGER4 (0.40) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL28771821 0.77 KMT2A (0.48) ALDH1A1MAPTKMT2AMEN1PTGER4

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
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 ALDH1A1 1638/4885SMN1; SMN2 951/4885MAPT 2416/4885

“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.