SCHEMBL4121127

SCHEMBL4121127

COc1ccc(N/C(=N\Nc2ccc(C#N)cc2)C(=O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
IL18 Q14116 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTT P42858 2/20 0.46
KCNA5 P22460 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GRIN2B Q13224 1/20 0.43
NPC1 O15118 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4121130 1.00 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4102762 0.92 HTT (0.52) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4102761 0.92 HTT (0.52) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4120754 0.86 HTT (0.47) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4120752 0.86 HTT (0.47) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4114976 0.86 HTT (0.56) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4104737 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4114722 0.86 HTT (0.47) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4114980 0.86 HTT (0.56) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4104738 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTLMNAKDM4E

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 SMN1; SMN2 2497/4885RAB9A 3324/4885MAPT 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.