SCHEMBL4110936

SCHEMBL4110936

CC(C)(C)C(=O)C(=NNc1ccc(C#N)cc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NLRP3 Q96P20 1/20 0.44
RAPGEF3 O95398 6/20 0.43
RAPGEF4 Q8WZA2 3/20 0.43
MEN1 O00255 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
S1PR3 Q99500 1/20 0.38
THRB P10828 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
POLB P06746 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4110934 1.00 HTT (0.45) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4114976 0.90 HTT (0.56) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4114980 0.90 HTT (0.56) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4102761 0.89 HTT (0.52) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4102762 0.89 HTT (0.52) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4110003 0.87 S1PR3 (0.49) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4110007 0.87 S1PR3 (0.49) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4115622 0.87 HTT (0.44) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4115619 0.87 HTT (0.44) HTTSMN1; SMN2MAPTLMNATSHR
SCHEMBL4121105 0.85 S1PR3 (0.41) HTTSMN1; SMN2MAPTLMNARAPGEF3

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 5 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 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 (1 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 HTT 4148/4885SMN1; SMN2 2497/4885MAPT 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.