SCHEMBL2945567

SCHEMBL2945567

COc1ccc([N+](=O)[O-])c2cc3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 1/20 0.50
NQO2 P16083 4/20 0.49
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR8 Q9NR97 1/20 0.43
NQO1 P15559 1/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 0.42
HSD11B1 P28845 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL7716965 0.82 KMT2A (0.54) MEN1KMT2ARAB9AALDH1A1TDP1
SCHEMBL6972381 0.81 NQO2 (0.63) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL10430138 0.78 MEN1 (0.52) MEN1KMT2ARAB9ANQO2ALDH1A1
Hydrochloric Acid SCHEMBL7709064 0.77 TLR8 (0.46) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL5796954 0.77 RAD52 (0.54) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL9410439 0.76 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1TDP1
SCHEMBL9406598 0.76 TLR8 (0.57) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL31124812 0.76 NQO2 (0.56) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL18631848 0.76 MEN1 (0.60) MEN1KMT2ARAB9ANQO2ALDH1A1
SCHEMBL2918502 0.75 NQO2 (0.45) MEN1KMT2ANQO2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257538-B1 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP 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-1261325-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2002-12-04 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-2001060351-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO disclosed
US-5948906-A CROWN ETHERS THAT CONTAIN AT LEAST ONE CORE NITROGEN THAT ARE LINKED VIA THE CORE NITROGEN(S) TO AT LEAST ONE FLUOROPHORE THAT CONTAINS AN ADDITIONAL HETEROAROMATIC LIGANDING THE CENTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-07 US disclosed
EP-0369733-B1 Fluorescent indicator dyes for alkali metal cations, their preparation and use UNIV CALIFORNIA (US) 1996-02-21 EP disclosed
US-5134232-A Diagnosis; concentration in blood THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-28 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 MEN1 1499/4885KMT2A 3892/4885RAB9A 213/4885
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions MKI67, DIAPH1, API5 MEN1 369/4885KMT2A 2779/4885RAB9A 3078/4885

“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.