SCHEMBL4114968

SCHEMBL4114968

CC(C)(C)C(=O)C(=NNc1ccccc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
EGFR P00533 1/20 0.42
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 4/20 0.41
DHODH Q02127 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
FADS1 O60427 1/20 0.40
RAPGEF3 O95398 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL4114964 1.00 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4109396 0.91 MAPT (0.52) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4109391 0.91 MAPT (0.52) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4110007 0.90 S1PR3 (0.49) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4110003 0.90 S1PR3 (0.49) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4109978 0.90 MEN1 (0.42) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4109973 0.90 MEN1 (0.42) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4121105 0.88 S1PR3 (0.41) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4121107 0.88 S1PR3 (0.41) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL4118763 0.88 MAPT (0.54) MEN1KMT2AMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US claimed
CN-101282926-B S1p3 receptor antagonist TOA EIYO LTD (JP) 2011-07-13 CN claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US claimed
CN-101282926-A S1p3 receptor antagonist TOA EIYO LTD (JP) 2008-10-08 CN claimed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP claimed
US-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2019-04-25 US disclosed
WO-2017190077-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2017-11-02 WO disclosed
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
CN-101282926-B S1p3 receptor antagonist TOA EIYO LTD (JP) 2011-07-13 CN disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
CN-101282926-A S1p3 receptor antagonist TOA EIYO LTD (JP) 2008-10-08 CN disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER S1PR3, S1PR1, S1PR4 MEN1 1023/4885KMT2A 865/4885MAPT 3528/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MEN1 1287/4885KMT2A 2082/4885MAPT 4848/4885

“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.