SCHEMBL4883243

SCHEMBL4883243

CCc1nc(COCc2ccccc2)[nH]c1I

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.36
HCAR2 Q8TDS4 3/20 0.34
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
GHSR Q92847 1/20 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
SCHEMBL4888818 0.87 ALDH1A1 (0.44) TSHRALDH1A1HCAR2RAB9A
SCHEMBL4886762 0.75 TSHR (0.43) TSHRHCAR2CA1CA2CA7
Iodide SCHEMBL5208788 0.74 TSHR (0.42) TSHRHCAR2CA1CA2CA7
SCHEMBL4899447 0.74 TSHR (0.42) TSHRHCAR2
SCHEMBL4887410 0.70 TSHR (0.47) TSHRTP53CA1CA2CA7
SCHEMBL15555557 0.70 ALDH1A1 (0.49) TSHRALDH1A1HCAR2SMN1; SMN2RAB9A
Propane SCHEMBL11584021 0.69 TSHR (0.83) TSHRALDH1A1TP53CA1CA2
SCHEMBL13638355 0.68 TSHR (0.54) TSHRALDH1A1CA1CA2CA7
SCHEMBL3028010 0.68 TSHR (0.44) TSHRALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL5311581 0.66 TSHR (1.00) TSHRALDH1A1CA1CA2CA7

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 TSHR 3874/4885ALDH1A1 84/4885HCAR2 3972/4885
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885ALDH1A1 216/4885HCAR2 4372/4885

“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.