SCHEMBL4902069

SCHEMBL4902069

CCOC(=O)c1c(C2CC2)nc(CCOCc2ccccc2)n1CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
ADORA3 P0DMS8 3/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK1D P48730 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4900968 0.91 ALDH1A1 (0.48) TSHRALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL4901487 0.80 MEN1 (0.36) ALDH1A1L3MBTL1KMT2A
SCHEMBL4899230 0.76 RAB9A (0.45) ALDH1A1ADORA3MAPTSMN1; SMN2CSNK1D
SCHEMBL4904524 0.71 RAB9A (0.48) ADORA3MAPTSMN1; SMN2CSNK1DNPC1
SCHEMBL8861145 0.71 KMT2A (0.45) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4903034 0.71 NOS2 (0.36) TSHRALDH1A1KMT2A
SCHEMBL21248208 0.66 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2CSNK1DL3MBTL1
SCHEMBL20660562 0.65 SMN1; SMN2 (0.46) TSHRALDH1A1MAPTSMN1; SMN2CSNK1D
SCHEMBL6228468 0.65 TSHR (0.45) TSHRALDH1A1MAPTSMN1; SMN2CSNK1D
SCHEMBL15550285 0.65 KMT2A (0.47) TSHRALDH1A1ADORA3MAPTSMN1; SMN2

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 TSHR 3874/4885ALDH1A1 84/4885ADORA3 2499/4885

“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.