SCHEMBL3364537

SCHEMBL3364537

CN(C)c1c2ccccc2nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
MAOA P21397 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
ADORA2A P29274 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49

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
SCHEMBL2912551 0.83 CHRM2 (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL11100232 0.82 CHRM2 (0.51) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL32690310 0.78 CHRM2 (0.53) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL11102956 0.78 CHRM2 (0.53) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2918933 0.78 KMT2A (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4155798 0.78 KMT2A (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2942736 0.77 CHRM2 (0.47) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL28719466 0.75 POLB (0.47) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL9013918 0.74 ALDH1A1 (0.58) CHRM2CHRM1MAOAADRA1AKCNH2
SCHEMBL2920813 0.73 KMT2A (0.57) CHRM2CHRM1DRD2ADRA2BADRA2C

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CHRM2 2456/4885CHRM1 1417/4885DRD2 59/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CHRM2 4838/4885CHRM1 4783/4885DRD2 3870/4885

“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.