SCHEMBL2500133

SCHEMBL2500133

C1=[N+]Nc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLAU P00749 1/20 0.33
MAPK13 O15264 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
SCHEMBL19677 0.64
SCHEMBL170456 0.60 PLAU (0.43) NPC1MAPTAHRPDK2KDM4E
SCHEMBL293794 0.60 ALOX15 (0.45) NPC1MAPTAHRPDK2KDM4E
SCHEMBL29504825 0.60 PLAU (0.43) NPC1MAPTAHRPDK2KDM4E
SCHEMBL447750 0.59 NPC1 (0.34) NPC1MAPTAHRPDK2KDM4E
SCHEMBL446852 0.59 NPC1 (0.34) NPC1MAPTAHRPDK2KDM4E
SCHEMBL31312839 0.59 PLAU (0.42) NPC1MAPTAHRPDK2KDM4E
SCHEMBL8827973 0.59 PLAU (0.42) NPC1MAPTAHRPDK2KDM4E
SCHEMBL448757 0.59 ALOX15 (0.43) NPC1MAPTAHRPDK2KDM4E
Hydrochloric Acid SCHEMBL10824104 0.59 PLAU (0.42) NPC1MAPTAHRPDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 NPC1 696/4885MAPT 3981/4885AHR 4197/4885

“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.