SCHEMBL8560894

SCHEMBL8560894

Nc1cc(NCc2ccccc2)c([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
USP2 O75604 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SIRT5 Q9NXA8 1/20 0.49
PRKCQ Q04759 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIRT6 Q8N6T7 1/20 0.48

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
SCHEMBL15740633 0.84 MAPT (0.53) HTR6MAPTL3MBTL1ALDH1A1TDP1
Formaldehyde SCHEMBL27516052 0.82 MAPT (0.52) HTR6MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL12205175 0.79 HTR6 (0.66) HTR6MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL8567841 0.78 CYP19A1 (0.57) MAPTALDH1A1POLBLMNA
SCHEMBL8565663 0.77 HPGD (0.58) MEN1KMT2AHTTCYP1A2CYP3A4
SCHEMBL19402368 0.76 MAPT (0.51) MAPTL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL8664733 0.76 ALDH1A1 (0.62) HTR6MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL8568330 0.76 PIN1 (0.44) MAPTMEN1KMT2ACYP3A4EGFR
SCHEMBL8569474 0.76 HTT (0.49) HTR6MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL17052991 0.76 EGFR (0.51) MAPTALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019145410-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-01 WO disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 HTR6 30/4885MAPT 4084/4885L3MBTL1 2229/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 HTR6 30/4885MAPT 4084/4885L3MBTL1 2229/4885

“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.