SCHEMBL165967

SCHEMBL165967

CC(C)(C)c1ccc(N)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
KIF11 P52732 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL8969267 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL30239858 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL27268822 0.83 AR (0.41) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL497451 0.81 KIF11 (0.47) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL30566936 0.81 KIF11 (0.47) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL29646422 0.80 ALOX5AP (0.44) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL15449678 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL165877 0.80 ALOX5AP (0.44) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL27722192 0.79 KDM4E (0.40) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL9706060 0.79 ADRB2 (0.40) ALDH1A1MAPTMEN1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
CN-118652253-A 4N electronic multi-element condensed ring compound with remote resonance effect and application thereof 常州大学 2024-09-17 CN disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
CN-107709293-B Ligand activated meta C-H activation using transient mediators 斯克里普斯研究学院 2021-10-15 CN disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
US-10611723-B2 Ligand-enabled meta-C-H activation using a transient mediator THE SCRIPPS RESEARCH INSTITUTE (US) 2020-04-07 US disclosed
US-10611723-B2 Ligand-enabled meta-C-H activation using a transient mediator THE SCRIPPS RESEARCH INSTITUTE (US) 2020-04-07 US disclosed
US-20180009739-A1 Ligand-Enabled meta-C-H Activation Using a Transient Mediator THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
WO-2016123361-A1 LIGAND-ENABLED META-C-H ACTIVATION USING A TRANSIENT MEDIATOR THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
EP-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (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-10611723-B2 Ligand-enabled meta-C-H activation using a transient mediator HRH4, AHR, HRH3 ALDH1A1 2756/4885MAPT 3261/4885MEN1 1140/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1441/4885MAPT 2954/4885MEN1 3261/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ALDH1A1 1739/4885MAPT 1497/4885MEN1 500/4885
US-20180009739-A1 Ligand-Enabled meta-C-H Activation Using a Transient Mediator HRH4, HRH3, HRH1 ALDH1A1 2776/4885MAPT 3463/4885MEN1 1136/4885

“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.