SCHEMBL4114976

SCHEMBL4114976

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 1/20 0.56
NLRP3 Q96P20 1/20 0.56
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.46
CNR1 P21554 1/20 0.45
S1PR3 Q99500 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.44
EPHX2 P34913 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4114980 1.00 HTT (0.56) HTTMAPTLMNATSHRNLRP3
SCHEMBL4102761 0.94 HTT (0.52) HTTMAPTLMNATSHRNLRP3
SCHEMBL4102762 0.94 HTT (0.52) HTTMAPTLMNATSHRNLRP3
SCHEMBL4110934 0.90 HTT (0.45) HTTMAPTLMNATSHRNLRP3
SCHEMBL4110936 0.90 HTT (0.45) HTTMAPTLMNATSHRNLRP3
SCHEMBL4109455 0.89 S1PR3 (0.54) HTTMAPTTSHRMEN1KMT2A
SCHEMBL16765243 0.89 S1PR3 (0.54) HTTMAPTTSHRMEN1KMT2A
SCHEMBL4109450 0.89 S1PR3 (0.54) HTTMAPTTSHRMEN1KMT2A
SCHEMBL4125047 0.88 S1PR3 (0.45) HTTMAPTLMNATSHRNLRP3
SCHEMBL4125042 0.88 S1PR3 (0.45) HTTMAPTLMNATSHRNLRP3

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 3 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
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 (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 4148/4885MAPT 4848/4885LMNA 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.