SCHEMBL1229934

SCHEMBL1229934

CN(C)C(=O)CNCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC2A1 P11166 1/20 0.46
LSS P48449 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL5867321 0.95 SLC2A1 (0.52) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL17308276 0.84 KMT2A (0.49) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL18672910 0.83 RAB9A (0.47) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL1867796 0.82 CYP2D6 (0.51) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11298190 0.81 CHRM2 (0.56) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL20252441 0.80 EPHX2 (0.55) MEN1KMT2ARAB9ACYP2C19NPC1
SCHEMBL7396543 0.80 SMN1; SMN2 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8991901 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL11300015 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ACYP2C9
SCHEMBL5004061 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
WO-2011022619-A1 TREATING INFLAMMATORY DISEASES BY ADMINISTRATION OF REV-ERB α LIGANDS GLAXO GROUP LIMITED (GB) 2011-02-24 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 (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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC ALDH1A1 1373/4885MEN1 3061/4885KMT2A 3849/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC ALDH1A1 1373/4885MEN1 3061/4885KMT2A 3849/4885

“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.