SCHEMBL4109396

SCHEMBL4109396

CC(C)(C)C(=O)C(=NNc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.52
RAPGEF3 O95398 2/20 0.46
RAPGEF4 Q8WZA2 2/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GFER P55789 1/20 0.44
ALB P02768 1/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL4109391 1.00 MAPT (0.52) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4125116 0.91 MAPT (0.51) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4125117 0.91 MAPT (0.51) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4114968 0.91 MEN1 (0.51) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4114964 0.91 MEN1 (0.51) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4121177 0.89 MEN1 (0.59) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4121179 0.89 MEN1 (0.59) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4115580 0.88 MAPT (0.48) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4115574 0.88 MAPT (0.48) MAPTSMN1; SMN2LMNAGAARAPGEF3
SCHEMBL4115547 0.88 MAPT (0.48) MAPTSMN1; SMN2LMNAGAARAPGEF3

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 MAPT 3528/4885SMN1; SMN2 2500/4885LMNA 3055/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MAPT 4848/4885SMN1; SMN2 2497/4885LMNA 2613/4885

“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.