SCHEMBL4880918

SCHEMBL4880918

FC(F)(F)c1cnc(CCOCc2ccccc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE10A Q9Y233 1/20 0.39
S1PR1 P21453 1/20 0.38
TSHR P16473 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.37
DAO P14920 1/20 0.37
MMP2 P08253 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL9938012 0.82 PDE10A (0.57) PDE10ADAOMMP2BRS3
SCHEMBL16321753 0.78 HRH4 (0.43) SCN10AHRH4HRH3PDE10ATSHR
SCHEMBL4886521 0.73 ALDH1A1 (0.39) SCN10AHRH4HRH3TSHRHCAR2
Hydrochloric Acid SCHEMBL1409425 0.69 TSHR (0.64) HRH4HRH3TSHRALDH1A1CA1
SCHEMBL8798036 0.69 TAAR1 (0.57) HRH4HRH3TSHRHCAR2ALDH1A1
SCHEMBL1066576 0.67 TSHR (0.67) HRH4HRH3TSHRALDH1A1CA1
SCHEMBL20470604 0.67 ALDH1A1 (0.51) HRH4HRH3TSHRHCAR2ALDH1A1
SCHEMBL29111537 0.67 F9 (0.38) S1PR1MMP2
SCHEMBL16637217 0.67 TSHR (0.46) HRH4HRH3TSHRHCAR2ALDH1A1
SCHEMBL8743578 0.67 TSHR (0.54) TSHRALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 WO disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 WO 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 SCN10A 3975/4885HRH4 530/4885HRH3 621/4885
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A SCN10A 3695/4885HRH4 1048/4885HRH3 954/4885

“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.