SCHEMBL720358

SCHEMBL720358

Nc1ccc(-c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.79
MAPT P10636 3/20 0.79
POLB P06746 3/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.47
GALR3 O60755 1/20 0.44
THRB P10828 1/20 0.44
HSPB1 P04792 2/20 0.43
PDE7A Q13946 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL29409289 0.89 MAPT (1.00) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL737722 0.89 MAPT (1.00) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL13735059 0.86 MAPT (0.56) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL10714493 0.85 TDP1 (0.85) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL30581227 0.85 MAPT (0.85) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL9649469 0.85 TDP1 (0.85) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL3178960 0.85 MAPT (0.85) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL537892 0.85 TDP1 (0.64) TDP1MAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL3973011 0.85 MAPT (0.92) TDP1MAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL3973012 0.85 MAPT (0.92) TDP1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 US claimed
WO-2009100045-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2009-08-13 WO claimed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 US disclosed
EP-1565455-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2005-08-24 EP disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed
WO-2004043950-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2004-05-27 WO 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 TDP1 3005/4885MAPT 4212/4885POLB 786/4885
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 TDP1 2015/4885MAPT 1920/4885POLB 526/4885

“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.