SCHEMBL6458171

SCHEMBL6458171

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccco1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.77
MEN1 O00255 9/20 0.77
MAPT P10636 6/20 0.77
POLB P06746 4/20 0.77
THRB P10828 1/20 0.77
PAX8 Q06710 2/20 0.72
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HTT P42858 3/20 0.71
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
HSPD1 P10809 1/20 0.64
HSPE1 P61604 1/20 0.64
BLM P54132 1/20 0.63
DDX3X O00571 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
MAPK1 P28482 1/20 0.60

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
SCHEMBL13433869 0.89 KMT2A (0.69) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL23011774 0.83 ALDH1A1 (0.84) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL13219583 0.81 PTPN1 (0.75) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL7718019 0.80 KMT2A (0.69) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL22362613 0.80 MAPT (0.59) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL31497191 0.80 KMT2A (0.64) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL28347687 0.80 KMT2A (0.64) KMT2AMEN1MAPTPOLBTHRB
SCHEMBL13698359 0.79 MEN1 (0.91) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL9329754 0.79 MEN1 (0.85) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL31700364 0.79 HSPD1 (1.00) KMT2AMEN1MAPTPOLBTHRB

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
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (3 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP KMT2A 3872/4885MEN1 506/4885MAPT 2862/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KMT2A 693/4885MEN1 734/4885MAPT 517/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP KMT2A 3872/4885MEN1 506/4885MAPT 2862/4885

“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.