SCHEMBL2918933

SCHEMBL2918933

Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
GLA P06280 3/20 0.52
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
MAOA P21397 2/20 0.52
ADRA1A P35348 2/20 0.52
KCNH2 Q12809 2/20 0.52
HPGD P15428 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ADRA2A P08913 1/20 0.52

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
SCHEMBL28253360 0.84 ACHE (0.51) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL4155798 0.81 KMT2A (0.52) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL13696882 0.81 CYP1A2 (0.55) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL2944297 0.80 PIM1 (0.48) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3364537 0.78 CHRM2 (0.57) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL2920813 0.77 KMT2A (0.57) KMT2ASMN1; SMN2MAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL11551062 0.76 KMT2A (0.47) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7877715 0.75 CHRM2 (0.80) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7877922 0.75 CHRM2 (0.80) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3458914 0.74 ALDH1A1 (0.65) KMT2ASMN1; SMN2MAPTRAB9AMEN1

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 32 patents — showing the first 20. 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
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
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO claimed
CN-108912104-A It is a kind of for treating the selective PI3K inhibitor of tumour 王延娇 2018-11-30 CN disclosed
CN-108864074-A A kind of application of compound and its alternatively property PI3K inhibitor in treatment tumour 王延娇 2018-11-23 CN disclosed
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
WO-2001060351-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO disclosed
WO-2000032175-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY PFIZER PRODUCTS INC. (US) 2000-06-08 WO disclosed
US-5348946-A Heteroanthracycline antitumor analogs BIOCHEM IMMUNOSYSTEMS, INC. (CA) 1994-09-20 US disclosed
WO-1992015601-A2 HETEROANTHRACYCLINE ANTITUMOR ANALOGS BIOCHEM PHARMA, INC. (CA) 1992-09-17 WO disclosed
EP-0502661-A2 Heteroanthracycline anti-tumor analogues BIOCHEM PHARMA INC. (CA) 1992-09-09 EP disclosed
US-5141960-A Central nervous system disorders G. D. SEARLE & CO. (US) 1992-08-25 US disclosed
US-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 US disclosed
US-4139531-A ANTINEOPLASTIC POLITECHNIKA GDANSKA (PL) 1979-02-13 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 KMT2A 4502/4885SMN1; SMN2 3974/4885MAPT 2114/4885
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 KMT2A 3892/4885SMN1; SMN2 1577/4885MAPT 3808/4885

“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.