SCHEMBL4901487

SCHEMBL4901487

CCn1c(CCOCc2ccccc2)nc(C2CC2)c1I

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NOS2 P35228 1/20 0.34
SOAT1 P35610 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL4902069 0.80 TSHR (0.46) KMT2AL3MBTL1ALDH1A1
SCHEMBL4903034 0.76 NOS2 (0.36) MEN1KMT2AADORA1ADORA2AMAOA
SCHEMBL4903271 0.71 HRH4 (0.39) L3MBTL1TDP1ADORA1ADORA2ASOAT1
SCHEMBL4900968 0.69 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4889012 0.69 TSHR (0.42) MEN1KMT2AL3MBTL1PKMADORA1
SCHEMBL4899447 0.64 TSHR (0.42) ADORA1ADORA2ASOAT1HRH4HRH3
SCHEMBL1066576 0.61 TSHR (0.67) L3MBTL1TDP1ALDH1A1HRH4HRH3
SCHEMBL22201665 0.61 TSHR (0.45) MEN1KMT2AL3MBTL1TDP1HRH4
SCHEMBL2186204 0.60 IDO1 (0.50) L3MBTL1TDP1HRH4HRH3
SCHEMBL317686 0.60 TSHR (0.58) MEN1KMT2AL3MBTL1TDP1ALDH1A1

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 MEN1 4634/4885KMT2A 2046/4885L3MBTL1 794/4885

“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.