SCHEMBL258450

SCHEMBL258450

C=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
TDP1 Q9NUW8 6/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 5/20 0.63
KDM4E B2RXH2 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 1/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
POLB P06746 6/20 0.56
GLO1 Q04760 1/20 0.54
CASP6 P55212 2/20 0.51
CYP3A4 P08684 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL183545 0.81 KMT2A (0.66) KMT2ATDP1L3MBTL1MEN1LMNA
SCHEMBL7206975 0.80 KMT2A (0.62) KMT2ATDP1L3MBTL1MEN1LMNA
SCHEMBL5807014 0.79 KMT2A (0.63) KMT2ATDP1L3MBTL1MEN1LMNA
Ammonia Solution, Strong SCHEMBL27671164 0.79 KMT2A (0.63) KMT2ATDP1L3MBTL1MEN1LMNA
SCHEMBL258449 0.79 TDP1 (0.63) KMT2ATDP1L3MBTL1MEN1LMNA
SCHEMBL5807015 0.79 TDP1 (0.63) KMT2ATDP1L3MBTL1MEN1LMNA
SCHEMBL15200988 0.77 LMNA (0.58) KMT2ATDP1L3MBTL1MEN1LMNA
Nifuroxime SCHEMBL465512 0.76 LMNA (0.76) KMT2ATDP1L3MBTL1MEN1LMNA
Nifuroxime SCHEMBL5025023 0.76 LMNA (0.76) KMT2ATDP1L3MBTL1MEN1LMNA
Nitric Acid SCHEMBL11753070 0.76 KMT2A (0.59) KMT2ATDP1L3MBTL1MEN1LMNA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US claimed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US claimed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US claimed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP claimed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 US claimed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed
US-6608056-B1 Phosphatidylinositol 3-kinase inhibitors and carcinostatic agents YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2003-08-19 US disclosed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 US disclosed
US-5119221-A Containing polymer adjustment layer MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-06-02 US disclosed
EP-0351718-A1 Liquid crystal display device comprising improved alignment layers for liquid crystal MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-01-24 EP disclosed
US-4243596-A USED IN PRODUCTION OF BACTERICIDES REKTORAT SLOVENSKEJ VYSOKEJ SKOLY TECHNICKEJ (CS) 1981-01-06 US disclosed
US-4243596-A USED IN PRODUCTION OF BACTERICIDES REKTORAT SLOVENSKEJ VYSOKEJ SKOLY TECHNICKEJ (CS) 1981-01-06 US disclosed
US-3993643-A ANTISCHISTOSOMAL STANFORD RESEARCH INSTITUTE (US) 1976-11-23 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 (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-20030236271-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KMT2A 1722/4885TDP1 3290/4885L3MBTL1 3535/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KMT2A 1722/4885TDP1 3290/4885L3MBTL1 3535/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KMT2A 1722/4885TDP1 3290/4885L3MBTL1 3535/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KMT2A 1722/4885TDP1 3290/4885L3MBTL1 3535/4885

“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.