SCHEMBL2914830

SCHEMBL2914830

CCCOCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
DRD2 P14416 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
CHRM3 P20309 1/20 0.66
MAOA P21397 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
ADORA2A P29274 1/20 0.66
ADRA1A P35348 1/20 0.66
HRH1 P35367 1/20 0.66
DRD3 P35462 1/20 0.66
HTR2B P41595 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
TOP2A P11388 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.47

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
Hydrochloric Acid SCHEMBL4449647 0.99 CHRM2 (0.64) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2920283 0.85 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2923390 0.85 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2914829 0.84 CHRM2 (0.65) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2920854 0.84 CHRM2 (0.64) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL7877922 0.84 CHRM2 (0.80) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL7877715 0.84 CHRM2 (0.80) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL11551773 0.83 CHRM2 (0.67) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL4449645 0.83 CHRM2 (0.64) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL31238163 0.83 CHRM2 (0.79) 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 18 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 claimed
US-7622478-B2 1-nitroacridine/tumor inhibitor compositions TIWARI RAJ 2009-11-24 US claimed
EP-1261325-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2002-12-04 EP claimed
EP-1257538-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2002-11-20 EP claimed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US claimed
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions TIWARI RAJ (US) 2002-03-28 US claimed
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO claimed
WO-2001060351-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO claimed
US-20180250400-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK4/6 Inhibitor ACERTA PHARMA BV (NL) 2018-09-06 US disclosed
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 US disclosed
WO-2016024232-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR AND/OR A CDK 4/6 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
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
EP-1257538-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2002-11-20 EP 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
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 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 (4 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 CHRM2 858/4885CHRM1 991/4885DRD2 1284/4885
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions MKI67, DIAPH1, API5 CHRM2 4669/4885CHRM1 4124/4885DRD2 4163/4885
US-20180250400-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK4/6 Inhibitor BTK, JAK2, CDK4 CHRM2 4819/4885CHRM1 4856/4885DRD2 1246/4885
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 CHRM2 4833/4885CHRM1 4865/4885DRD2 1152/4885

“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.