SCHEMBL4900968

SCHEMBL4900968

CCOC(=O)c1c(C2CC2)nc(COCc2ccccc2)n1CC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
ADORA3 P0DMS8 3/20 0.43
CSNK1D P48730 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.38
NLRP3 Q96P20 1/20 0.38
PRMT5 O14744 1/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL4902069 0.91 TSHR (0.46) ALDH1A1TSHRADORA3CSNK1DL3MBTL1
SCHEMBL8861145 0.78 KMT2A (0.45) ALDH1A1TSHRL3MBTL1MAPTNPSR1
SCHEMBL4904524 0.76 RAB9A (0.48) ADORA3CSNK1DMAPTNPSR1SMN1; SMN2
SCHEMBL7886357 0.71 CYP19A1 (0.51) ALDH1A1TSHRL3MBTL1MAPTGAA
SCHEMBL4899230 0.70 RAB9A (0.45) ALDH1A1ADORA3CSNK1DMAPTNPSR1
SCHEMBL4901487 0.69 MEN1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4902092 0.69 TSHR (0.35) ALDH1A1TSHRKMT2AMEN1
SCHEMBL15550285 0.67 KMT2A (0.47) ALDH1A1TSHRADORA3L3MBTL1MAPT
SCHEMBL14378821 0.66 SMN1; SMN2 (0.64) ALDH1A1TSHRMAPTGAASMN1; SMN2
SCHEMBL19635104 0.65 SMN1; SMN2 (0.42) ALDH1A1CSNK1DL3MBTL1MAPTGAA

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 ALDH1A1 84/4885TSHR 3874/4885ADORA3 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.