SCHEMBL4899447

SCHEMBL4899447

Ic1[nH]c(COCc2ccccc2)nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PDE9A O76083 1/20 0.39
PRMT5 O14744 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CCR2 P41597 2/20 0.35
CXCR2 P25025 1/20 0.34
SOAT1 P35610 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL4903271 0.88 HRH4 (0.39) TSHRPDE9APRMT5ADORA2AADORA1
SCHEMBL4904524 0.76 RAB9A (0.48) PDE9A
SCHEMBL4886762 0.73 TSHR (0.43) TSHRSLC6A4HCAR2
SCHEMBL4902044 0.71 CXCR2 (0.38) TSHRPDE9APRMT5ADORA2AADORA1
SCHEMBL4902965 0.69 TSHR (0.38) TSHRADORA2AADORA1CCR2SOAT1
SCHEMBL15555557 0.65 ALDH1A1 (0.49) TSHRHRH4HRH3HCAR2
SCHEMBL5311581 0.65 TSHR (1.00) TSHRSLC6A2SLC6A3
SCHEMBL27380 0.65 TSHR (1.00) TSHRSLC6A2SLC6A3
Benzene SCHEMBL27997624 0.65 TSHR (1.00) TSHRSLC6A2SLC6A3
SCHEMBL13638355 0.63 TSHR (0.54) TSHRHRH4HRH3

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP 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 (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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 TSHR 3874/4885PDE9A 4771/4885PRMT5 254/4885

“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.