SCHEMBL2391885

SCHEMBL2391885

CN(C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
GAA P10253 2/20 0.45
ATM Q13315 2/20 0.44
KCNH2 Q12809 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL3155886 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL14267707 0.81 SIGMAR1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK1TSHR
SCHEMBL11002701 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL27458750 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL9233164 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL1532324 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL2103568 0.79 MAPK1 (0.55) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL27438395 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL21477233 0.78 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL15659596 0.77 TSHR (0.53) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 ALDH1A1 3726/4885SMN1; SMN2 882/4885MAPT 957/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1306/4885SMN1; SMN2 1657/4885MAPT 3110/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 ALDH1A1 3726/4885SMN1; SMN2 882/4885MAPT 957/4885

“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.