SCHEMBL3769999

SCHEMBL3769999

NC(=O)CNC1CC[CH]CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
METAP1 P53582 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
DPP4 P27487 8/20 0.32
DPP7 Q9UHL4 6/20 0.32
KMT2A Q03164 3/20 0.32
TARDBP Q13148 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.31
FAP Q12884 5/20 0.31
TACR1 P25103 1/20 0.31
HCK P08631 1/20 0.31

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
SCHEMBL1908528 0.86
Hydrochloric Acid SCHEMBL2715582 0.84
SCHEMBL11922743 0.82
SCHEMBL991936 0.82 DPP4 (0.43) ALDH1A1HPGDDPP4DPP7FAP
SCHEMBL27773909 0.80 ITGB3 (0.41) METAP1ALDH1A1HPGDDPP4DPP7
SCHEMBL992089 0.80 DPP7 (0.46) ALDH1A1HPGDDPP4DPP7FAP
Hydrochloric Acid SCHEMBL3512222 0.80 ALDH1A1 (0.44) ALDH1A1HPGDDPP4DPP7KMT2A
SCHEMBL17347050 0.80 DPP7 (0.46) ALDH1A1HPGDDPP4DPP7FAP
SCHEMBL750354 0.78 METAP1 (0.40) KDM1AMETAP1DPP4DPP7
SCHEMBL994220 0.78 EPHX2 (0.46) KDM1AMETAP1DPP4DPP7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
EP-1628968-A4 4-IMIDAZOLIN-2-ONE COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-03-05 EP disclosed
EP-1628968-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-03-01 EP disclosed
WO-2004094404-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-11-04 WO disclosed
US-20040204426-A1 4-Imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-10-14 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 (2 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-20040204426-A1 4-Imidazolin-2-one compounds NR3C1, NR3C2, SCN1B KDM1A 1150/4885METAP1 3599/4885ALDH1A1 755/4885
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS OR10J3, NR4A3, NR3C2 KDM1A 2178/4885METAP1 4364/4885ALDH1A1 1391/4885

“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.