SCHEMBL20448409

SCHEMBL20448409

NNC(=O)/C=C/c1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC3 O15379 3/20 0.38
HTT P42858 1/20 0.36
MMP1 P03956 4/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
EGFR P00533 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 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
SCHEMBL20448389 0.80 CCNC (0.34) ALDH1A1MAPTGAAL3MBTL1HDAC1
SCHEMBL7744900 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHDAC1HDAC2HDAC3
SCHEMBL7744903 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHDAC1HDAC2HDAC3
SCHEMBL1510079 0.78 HCAR2 (0.52) ALDH1A1MAPTKDM4EGAAHDAC1
SCHEMBL1510077 0.78 HCAR2 (0.52) ALDH1A1MAPTKDM4EGAAHDAC1
SCHEMBL8916912 0.77 HDAC3 (0.32) ALDH1A1MAPTHDAC1HDAC2HDAC8
SCHEMBL11091317 0.77 GLA (0.52) ALDH1A1MAPTKDM4EGAAHDAC1
SCHEMBL11076083 0.74 MAPT (0.56) ALDH1A1MAPTL3MBTL1HDAC1HDAC2
SCHEMBL11076088 0.74 MAPT (0.56) ALDH1A1MAPTL3MBTL1HDAC1HDAC2
SCHEMBL339221 0.72

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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 ALDH1A1 55/4885MAPT 2709/4885KDM4E 3298/4885

“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.