SCHEMBL5475166

SCHEMBL5475166

O=c1c(NCCN2CCCCC2)ncc(Cl)n1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ACP1 P24666 1/20 0.36
CNR1 P21554 1/20 0.36
TOP2A P11388 1/20 0.36

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
SCHEMBL5479136 0.79 CAMK2D (0.37) KAT2BNPC1RAB9AACP1
SCHEMBL8294498 0.78 F2 (0.44) KAT2BSMN1; SMN2ACHE
SCHEMBL5479118 0.74 CYP3A4 (0.45) HTTSMN1; SMN2ACHEHSD17B10MEN1
SCHEMBL5483623 0.72 F2 (0.35) KAT2BKCNH2SIGMAR1
SCHEMBL5483612 0.72 ATM (0.39) ALDH1A1
SCHEMBL5475153 0.71 F2 (0.36) KDM4EALDH1A1
SCHEMBL23886071 0.70 ACHE (0.46) KAT2BMAPTACHEHSD17B10MEN1
SCHEMBL30019923 0.70 ACHE (0.46) KAT2BMAPTACHEHSD17B10MEN1
SCHEMBL30019876 0.68 MEN1 (0.45) KAT2BNPC1RAB9AAPAF1NSD2
SCHEMBL23885977 0.68 MEN1 (0.45) KAT2BNPC1RAB9AAPAF1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 KAT2B 3146/4885NPC1 4772/4885RAB9A 3094/4885

“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.