SCHEMBL4115574

SCHEMBL4115574

CC(C)(C)C(=O)/C(=N\Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
S1PR3 Q99500 2/20 0.46
IDH1 O75874 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
HTR3E A5X5Y0 1/20 0.44

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
SCHEMBL4115580 1.00 MAPT (0.48) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4125117 0.95 MAPT (0.51) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4125116 0.95 MAPT (0.51) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4108912 0.90 S1PR3 (0.58) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4108910 0.90 S1PR3 (0.58) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4115547 0.89 MAPT (0.48) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4115548 0.89 MAPT (0.48) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4118856 0.89 MAPT (0.48) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4118859 0.89 MAPT (0.48) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL4109386 0.88 MAPT (0.43) MAPTLMNASMN1; SMN2GAAMEN1

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US 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
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US 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 3528/4885LMNA 3055/4885SMN1; SMN2 2500/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MAPT 4848/4885LMNA 2613/4885SMN1; SMN2 2497/4885

“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.