SCHEMBL3195239

SCHEMBL3195239

NCCc1nccnc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.39
HRH4 Q9H3N8 3/20 0.39
HRH2 P25021 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
NOS2 P35228 5/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CHRNA7 P36544 1/20 0.31
ROCK1 Q13464 1/20 0.31
NOS3 P29474 4/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
MTOR P42345 1/20 0.30
NUDT1 P36639 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL4717192 0.84 HRH1 (0.45) HRH1HRH4HRH2HRH3
SCHEMBL4333718 0.79
SCHEMBL28571987 0.78 NOS2 (0.48) MAPKAPK2NOS2USP2LMNANOS3
SCHEMBL10924823 0.75 TLR8 (0.44) HRH3NOS2NOS3
SCHEMBL20240844 0.73 HRH1 (0.38) HRH1HRH4HRH2HRH3TDP1
SCHEMBL4366845 0.73 HRH1 (0.47) HRH1HRH4HRH2HRH3TDP1
SCHEMBL13412472 0.73 NUDT1 (0.49) MAPKAPK2NOS2NOS3NUDT1NOS1
SCHEMBL6753235 0.73 TLR7 (0.46) TDP1NOS2USP2
SCHEMBL28076490 0.73 TLR7 (0.41) TDP1MAPKAPK2NOS2LMNANOS3
SCHEMBL3938944 0.72

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function MALLINCKRODT INC. (US) 2008-12-04 US claimed
CN-101010107-A Luminescent metal complexes for monitoring renal function MALLINCKRODT INC (US) 2007-08-01 CN claimed
EP-1793866-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-06-13 EP claimed
WO-2006026038-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-03-09 WO claimed
US-20100113756-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT INC. (US) 2010-05-06 US disclosed
US-7674902-B2 Luminescent metal complexes for monitoring renal function MALLINCKRODT INC. (US) 2010-03-09 US disclosed
US-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function MALLINCKRODT INC. (US) 2008-12-04 US disclosed
CN-101010107-A Luminescent metal complexes for monitoring renal function MALLINCKRODT INC (US) 2007-08-01 CN disclosed
EP-1793866-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-06-13 EP disclosed
WO-2006026038-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-03-09 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 (2 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-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function REN, GLS, ATP6V1B1 HRH1 2021/4885HRH4 1227/4885HRH2 1837/4885
US-20100113756-A1 LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION REN, GLS, ATP6V1B1 HRH1 1906/4885HRH4 1074/4885HRH2 1644/4885

“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.