SCHEMBL4887410

SCHEMBL4887410

CCc1c[nH]c(COCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.35
AGXT P21549 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL4893200 0.87 HRH4 (0.45) TSHRHRH4HRH3TP53L3MBTL1
SCHEMBL24105171 0.81 TSHR (0.50) TSHRHRH4HRH3IDO1AGXT
SCHEMBL5440060 0.77 TSHR (0.46) TSHRHRH4HRH3IDO1AGXT
SCHEMBL4903117 0.77 TSHR (0.46) TSHRHRH4HRH3IDO1AGXT
SCHEMBL11961679 0.73 TAAR1 (0.41) HRH3TP53RAB9ANPC1
SCHEMBL338572 0.71
Propane SCHEMBL11584021 0.71 TSHR (0.83) TSHRIDO1TP53AGXTCA1
SCHEMBL4270861 0.71 P2RX7 (0.32)
SCHEMBL4883243 0.70 TSHR (0.44) TSHRTP53CA1CA2CA7
Bromide SCHEMBL3127439 0.69 DDAH1 (0.32)

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 6 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
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 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 3874/4885HRH4 530/4885HRH3 621/4885
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885HRH4 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.