SCHEMBL7199031

SCHEMBL7199031

COc1ccc2nc3c(C)ccc([N+](=O)[O-])c3c(NCCCOC(C)=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
NUDT1 P36639 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
ACHE P22303 11/20 0.38
BCHE P06276 8/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL2919819 0.96 NUDT1 (0.43) PIM1PIM3NUDT1SMN1; SMN2MAPT
SCHEMBL7198466 0.89 NUDT1 (0.46) PIM1PIM3NUDT1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7194153 0.88 NUDT1 (0.46) PIM1PIM3NUDT1MAPTACHE
SCHEMBL2914986 0.87 CHRM2 (0.51) SMN1; SMN2MAPTACHEBCHECHRM2
SCHEMBL2918515 0.87 NUDT1 (0.46) PIM1PIM3NUDT1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2920320 0.86 NUDT1 (0.46) PIM1PIM3NUDT1SMN1; SMN2MAPT
SCHEMBL2915128 0.82 CHRM2 (0.48) SMN1; SMN2MAPTACHEBCHECHRM2
SCHEMBL7643951 0.81 PIM1 (0.42) PIM1PIM3SMN1; SMN2MAPTLMNA
SCHEMBL2921403 0.79 CHRM2 (0.52) SMN1; SMN2MAPTTP53ACHEBCHE
Hydrochloric Acid SCHEMBL2919068 0.78 CHRM2 (0.51) SMN1; SMN2MAPTTP53ACHEBCHE

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-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US claimed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US claimed
US-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US disclosed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US 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-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 PIM1 3803/4885PIM3 3397/4885NUDT1 198/4885

“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.