SCHEMBL4276077

SCHEMBL4276077

CCCCCCCCN1C=CN(C)C1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
GUSB P08236 2/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TBXAS1 P24557 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
HTT P42858 4/20 0.32
GALR3 O60755 2/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL4278807 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL4280036 0.98 PTGS1 (0.31) PTGS1PTGS2MGLLFAAH
SCHEMBL2261087 0.83
SCHEMBL27731911 0.81 GBA1 (0.39) GUSBTSHRLMNASMN1; SMN2
SCHEMBL15535407 0.79 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL15536440 0.79 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL4379996 0.79 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL5295467 0.78 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL5289754 0.78 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL5282783 0.78 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHGUSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090173381-A1 GEL TYPE ELECTROLYTE FOR DYE SENSITIZED SOLAR CELL, METHOD OF PREPARING THE SAME, AND SOLAR CELL INCLUDING THE GEL TYPE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2009-07-09 US disclosed
EP-1268440-B1 IMIDAZOLE CARBENES UNIV BELFAST (GB) 2005-12-07 EP disclosed
US-6939974-B2 Imidazole carbenes THE QUEENS UNIVERSITY OF BELFAST (GB) 2005-09-06 US disclosed
US-20030186803-A1 Imidazole carbenes QUEENS UNIVERSITY OF BELFAST, THE (GB) 2003-10-02 US 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-20030186803-A1 Imidazole carbenes CYC1, RIN1, GDI1 PTGS1 336/4885PTGS2 548/4885MGLL 3447/4885

“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.