SCHEMBL4158450

SCHEMBL4158450

O=C1C(=O)N(COc2ccccc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.61
BCHE P06276 3/20 0.61
TGM2 P21980 1/20 0.61
ALDH1A1 P00352 9/20 0.58
ALDH3A1 P30838 6/20 0.58
ALDH2 P05091 4/20 0.58
CHRM1 P11229 2/20 0.58
PARK7 Q99497 1/20 0.55
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PKM P14618 1/20 0.53
ACHE P22303 1/20 0.51
RCE1 Q9Y256 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4159335 0.84 HPGD (0.57) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL12930188 0.84 ALDH1A1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL9770647 0.80 RAB9A (0.66) ALDH1A1PKMMAPTLMNAKMT2A
SCHEMBL3331215 0.79 CES1 (0.65) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL25339731 0.77 MAPT (0.41) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL6258757 0.77 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL8764222 0.76 MGLL (0.52) MAPTMAPK1
SCHEMBL19924204 0.76 CES1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL29506660 0.74 ALDH1A1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL2087729 0.74 ALDH1A1 (1.00) CES1BCHETGM2ALDH1A1ALDH3A1

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-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 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-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN CES1 1158/4885BCHE 745/4885TGM2 2896/4885

“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.