SCHEMBL2920152

SCHEMBL2920152

COc1ccc2nc3cccc([N+](=O)[O-])c3c(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
PIM3 Q86V86 2/20 0.48
POLB P06746 2/20 0.46
PIN1 Q13526 1/20 0.45
HRAS P01112 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL2944297 0.85 PIM1 (0.48) PIM1PIM3POLBCHRM2CHRM1
SCHEMBL2924665 0.82 PIM1 (0.46) PIM1PIM3POLBPIN1CHRM2
SCHEMBL2920081 0.81 PIM1 (0.52) PIM1PIM3POLBHRASALDH1A1
SCHEMBL4155798 0.80 KMT2A (0.52) PIM1PIM3POLBCHRM2CHRM1
SCHEMBL10648737 0.80 PIM3 (0.55) PIM1PIM3POLBPIN1HRAS
SCHEMBL7714632 0.79 PIM1 (0.45) PIM1PIM3POLBCHRM2CHRM1
SCHEMBL2921828 0.78 ADORA2A (0.59) PIM1PIM3POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL2923105 0.77 ADORA2A (0.58) PIM1PIM3POLBCHRM2CHRM1
SCHEMBL2914278 0.77 ADORA2A (0.61) PIM1PIM3POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL2922562 0.77 ADORA2A (0.60) PIM1PIM3POLBCHRM2CHRM1

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
EP-1261325-B1 TUMOR INHIBITING COMPOSITIONS COMPRISING NITROACRIDINES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP disclosed
US-7622478-B2 1-nitroacridine/tumor inhibitor compositions TIWARI RAJ 2009-11-24 US disclosed
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
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions TIWARI RAJ (US) 2002-03-28 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 (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-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 PIM1 3803/4885PIM3 3397/4885POLB 2534/4885
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions MKI67, DIAPH1, API5 PIM1 890/4885PIM3 2269/4885POLB 1867/4885

“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.