SCHEMBL4125047

SCHEMBL4125047

C#Cc1ccc(NN=C(Nc2ccc(Cl)cc2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
NLRP3 Q96P20 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4104533 1.00 S1PR3 (0.45) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4104537 1.00 S1PR3 (0.45) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4125042 1.00 S1PR3 (0.45) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4113014 0.94 L3MBTL1 (0.39) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4113009 0.94 L3MBTL1 (0.39) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4109450 0.89 S1PR3 (0.54) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4109455 0.89 S1PR3 (0.54) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL16765243 0.89 S1PR3 (0.54) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4110925 0.88 MEN1 (0.40) S1PR3SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4110928 0.88 MEN1 (0.40) S1PR3SMN1; SMN2MEN1KMT2AHTT

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 7 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
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 S1PR3 1/4885SMN1; SMN2 2500/4885MEN1 1023/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 S1PR3 1/4885SMN1; SMN2 2497/4885MEN1 1287/4885

“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.