SCHEMBL4893200

SCHEMBL4893200

CCc1c[nH]c(CCOCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NAAA Q02083 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 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
SCHEMBL4887410 0.87 TSHR (0.47) HRH4HRH3TSHRL3MBTL1TP53
SCHEMBL4901240 0.79 HRH4 (0.44) HRH4HRH3ALDH1A1TSHRL3MBTL1
SCHEMBL6971912 0.71 HRH3 (0.51) HRH4HRH3ALDH1A1TSHRL3MBTL1
SCHEMBL20470604 0.71 ALDH1A1 (0.51) HRH4HRH3ALDH1A1TSHRL3MBTL1
SCHEMBL28814422 0.70
SCHEMBL8798036 0.70 TAAR1 (0.57) HRH4HRH3ALDH1A1TSHRHCAR2
SCHEMBL14458204 0.70 TP53 (0.54) TSHRL3MBTL1TDP1NAAATP53
SCHEMBL19987777 0.69 RAB9A (0.42) HRH4HRH3ALDH1A1TSHRL3MBTL1
SCHEMBL338572 0.68
SCHEMBL1066576 0.68 TSHR (0.67) HRH4HRH3ALDH1A1TSHRL3MBTL1

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 1 patent. 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

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 HRH4 530/4885HRH3 621/4885ALDH1A1 84/4885

“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.