SCHEMBL2238535

SCHEMBL2238535

O=C1NCCCN1c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
P2RY2 P41231 1/20 0.37
GPR17 Q13304 1/20 0.37
HTR6 P50406 2/20 0.37
HCRTR1 O43613 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL2299333 0.95 ALDH1A1 (0.45) CYP1A1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2235366 0.86 CYP1A1 (0.47) CYP1A1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2239453 0.86 ALDH1A1 (0.48) CYP1A1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2239957 0.86 ENPP3 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2299605 0.84 CYP1A1 (0.43) CYP1A1ALDH1A1SMN1; SMN2
SCHEMBL2301973 0.83 ALDH1A1 (0.45) CYP1A1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2302674 0.82 CYP1A1 (0.59) CYP1A1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12353905 0.82 ALDH1A1 (0.51) CYP1A1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2304868 0.82 CYP1A1 (0.59) CYP1A1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2300655 0.82 CYP1A1 (0.50) CYP1A1ALDH1A1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 CYP1A1 1777/4885ALDH1A1 1937/4885SMN1; SMN2 2479/4885

“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.